From e99016b448205e4f874d46ef6353314c370c8eaf Mon Sep 17 00:00:00 2001 From: Stephen DeWitt Date: Mon, 23 Jan 2017 16:17:20 -0500 Subject: [PATCH 01/36] removed call to norm_sqr(), which triggered a compiler error for deal.II v8.5 --- src/matrixfree/solveIncrement.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/matrixfree/solveIncrement.cc b/src/matrixfree/solveIncrement.cc index 516eafa14..2941c282f 100644 --- a/src/matrixfree/solveIncrement.cc +++ b/src/matrixfree/solveIncrement.cc @@ -110,7 +110,7 @@ void MatrixFreePDE::solveIncrement(){ } //check if solution is nan - if (!numbers::is_finite(solutionSet[fieldIndex]->norm_sqr())){ + if (!numbers::is_finite(solutionSet[fieldIndex]->l2_norm())){ sprintf(buffer, "ERROR: field '%s' solution is NAN. exiting.\n\n", fields[fieldIndex].name.c_str()); pcout< Date: Tue, 24 Jan 2017 10:56:47 -0500 Subject: [PATCH 02/36] Split the function init into two functions: init and reinit. Reinit is called when the grid is refined. Fixed a bug with the Dirichlet BCs for pure elliptic problems. --- .../cahnHilliardWithAdaptivity/main.cc | 2 +- applications/mechanics/ICs_and_BCs.h | 4 +- .../precipitateEvolution/ICs_and_BCs.h | 6 +- .../precipitateEvolution/parameters.h | 2 +- include/defaultValues.h | 3 + include/matrixFreePDE.h | 2 + src/matrixfree/init.cc | 537 +++++++++++++----- src/matrixfree/refine.cc | 2 +- src/matrixfree/reinit.cc | 147 +++++ src/matrixfree/solve.cc | 2 +- src/matrixfree/solveIncrement.cc | 7 +- .../coupled/generalized_model_functions.h | 2 + 12 files changed, 555 insertions(+), 161 deletions(-) create mode 100644 src/matrixfree/reinit.cc diff --git a/applications/cahnHilliardWithAdaptivity/main.cc b/applications/cahnHilliardWithAdaptivity/main.cc index 2b20cf223..b5bb0809e 100644 --- a/applications/cahnHilliardWithAdaptivity/main.cc +++ b/applications/cahnHilliardWithAdaptivity/main.cc @@ -20,7 +20,7 @@ int main (int argc, char **argv) problem.setBCs(); problem.buildFields(); - problem.init (); + problem.init (); problem.solve(); } catch (std::exception &exc) diff --git a/applications/mechanics/ICs_and_BCs.h b/applications/mechanics/ICs_and_BCs.h index cc18ed1d8..d0e4d6d55 100644 --- a/applications/mechanics/ICs_and_BCs.h +++ b/applications/mechanics/ICs_and_BCs.h @@ -84,8 +84,8 @@ void generalizedProblem::setBCs(){ // two for the minimum of the second direction, etc. inputBCs(4,0,"DIRICHLET",-0.1, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); - inputBCs(4,1,"DIRICHLET",0.0, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); - inputBCs(4,2,"DIRICHLET",0.0, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); + inputBCs(4,1,"DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); + inputBCs(4,2,"DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); } diff --git a/applications/precipitateEvolution/ICs_and_BCs.h b/applications/precipitateEvolution/ICs_and_BCs.h index 3e5fc1c03..fb60b05b0 100644 --- a/applications/precipitateEvolution/ICs_and_BCs.h +++ b/applications/precipitateEvolution/ICs_and_BCs.h @@ -116,8 +116,10 @@ void generalizedProblem::setBCs(){ inputBCs(3,0,"ZERO_DERIVATIVE",0); - inputBCs(4,0,"DIRICHLET",0.0); - inputBCs(4,1,"DIRICHLET",0.0); +// inputBCs(4,0,"DIRICHLET",0.0); +// inputBCs(4,1,"DIRICHLET",0.0); + inputBCs(4,0,"DIRICHLET",0.1,"DIRICHLET",0.0,"ZERO_DERIVATIVE",0.0,"ZERO_DERIVATIVE",0.0); + inputBCs(4,1,"ZERO_DERIVATIVE",0.0); if (dim == 3){ inputBCs(4,2,"DIRICHLET",0.0); } diff --git a/applications/precipitateEvolution/parameters.h b/applications/precipitateEvolution/parameters.h index cd145c191..d745a7e91 100644 --- a/applications/precipitateEvolution/parameters.h +++ b/applications/precipitateEvolution/parameters.h @@ -54,7 +54,7 @@ // The size of the time step #define timeStep 4.0e-4 #define timeFinal 100.0 -#define timeIncrements 5000 +#define timeIncrements 10 //5000 // ================================================================================= // Set the elliptic solver parameters diff --git a/include/defaultValues.h b/include/defaultValues.h index ce4003901..eb7eb16ef 100644 --- a/include/defaultValues.h +++ b/include/defaultValues.h @@ -92,5 +92,8 @@ #define skipPrintSteps 1 #endif +#ifndef hAdaptivity +#define hAdaptivity false +#endif #endif diff --git a/include/matrixFreePDE.h b/include/matrixFreePDE.h index 6433bb058..909ccb639 100644 --- a/include/matrixFreePDE.h +++ b/include/matrixFreePDE.h @@ -95,6 +95,7 @@ class MatrixFreePDE:public Subscriptor * inputs in the application parameters file. */ void init (unsigned int iter=0); + void reinit (unsigned int iter=0); /** * Initializes the data structures for enabling unit tests. * @@ -280,6 +281,7 @@ class MatrixFreePDE:public Subscriptor //header files till library packaging scheme is finalized) #include "../src/matrixfree/matrixFreePDE.cc" #include "../src/matrixfree/init.cc" +#include "../src/matrixfree/reinit.cc" #include "../src/matrixfree/initForTests.cc" #include "../src/matrixfree/refine.cc" #include "../src/matrixfree/invM.cc" diff --git a/src/matrixfree/init.cc b/src/matrixfree/init.cc index f62488619..c69529f98 100644 --- a/src/matrixfree/init.cc +++ b/src/matrixfree/init.cc @@ -1,4 +1,281 @@ -//init() method for MatrixFreePDE class +////init() method for MatrixFreePDE class +// +//#ifndef INIT_MATRIXFREE_H +//#define INIT_MATRIXFREE_H +////this source file is temporarily treated as a header file (hence +////#ifndef's) till library packaging scheme is finalized +// +// //populate with fields and setup matrix free system +// template +// void MatrixFreePDE::init(unsigned int iter){ +// //void MatrixFreePDE::init(std::vector >& _fields){ +// computing_timer.enter_section("matrixFreePDE: initialization"); +// +// if (iter==0){ +// //creating mesh +// std::vector subdivisions; +// subdivisions.push_back(subdivisionsX); +// if (dim>1){ +// subdivisions.push_back(subdivisionsY); +// if (dim>2){ +// subdivisions.push_back(subdivisionsZ); +// } +// } +// +// pcout << "creating problem mesh...\n"; +// +//#ifndef t_domain +//#define t_domain false +//#endif +//#if t_domain == true +// std::vector< unsigned int > repetitions(2); +// repetitions[0]=15;//5*refineFactor; +// repetitions[1]=3;//1*refineFactor; +// Triangulation<2> tria1, tria2; +// GridGenerator::subdivided_hyper_rectangle (tria1, repetitions, Point(-40,100), Point(60,120)); +// repetitions[0]=3;//*refineFactor; +// repetitions[1]=15;//*refineFactor; +// GridGenerator::subdivided_hyper_rectangle (tria2, repetitions, Point(0,0), Point(20,100)); +// GridGenerator::merge_triangulations (tria1, tria2, triangulation); +//#else +// #if problemDIM==3 +// GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY,spanZ)); +// #elif problemDIM==2 +// GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY)); +// #elif problemDIM==1 +// GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX)); +// #endif +// +// +// // Mark boundaries for applying the boundary conditions +// markBoundaries(); +// +// // Set which (if any) faces of the triangulation are periodic +// setPeriodicity(); +// +//#endif +// // Do the initial global refinement +// triangulation.refine_global (refineFactor); +// +// +// +// // Write out the size of the computational domain and the total number of elements +// pcout << "problem dimensions: " << spanX << "x" << spanY << "x" << spanZ << std::endl; +// pcout << "number of elements: " << triangulation.n_global_active_cells() << std::endl; +// pcout << std::endl; +// +// +// } +// else{ +// refineGrid(); +// } +// +// //setup system +// pcout << "initializing matrix free object\n"; +// unsigned int totalDOFs=0; +// for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ +// currentFieldIndex=it->index; +// +// char buffer[100]; +// if (iter==0){ +// //print to std::out +// sprintf(buffer,"initializing finite element space P^%u for %9s:%6s field '%s'\n", \ +// finiteElementDegree, \ +// (it->pdetype==PARABOLIC ? "PARABOLIC":"ELLIPTIC"), \ +// (it->type==SCALAR ? "SCALAR":"VECTOR"), \ +// it->name.c_str()); +// pcout << buffer; +// //check if any time dependent fields present +// if (it->pdetype==PARABOLIC){ +// isTimeDependentBVP=true; +// parabolicFieldIndex=it->index; +// } +// else if (it->pdetype==ELLIPTIC){ +// isEllipticBVP=true; +// ellipticFieldIndex=it->index; +// } +// } +// +// +// //create FESystem +// FESystem* fe; +// // +// if (iter==0){ +// if (it->type==SCALAR){ +// fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),1); +// } +// else if (it->type==VECTOR){ +// fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),dim); +// } +// else{ +// pcout << "\nmatrixFreePDE.h: unknown field type\n"; +// exit(-1); +// } +// FESet.push_back(fe); +// } +// else{ +// fe=FESet.at(it->index); +// } +// +// //distribute DOFs +// DoFHandler* dof_handler; +// if (iter==0){ +// dof_handler=new DoFHandler(triangulation); +// dofHandlersSet.push_back(dof_handler); +// dofHandlersSet_nonconst.push_back(dof_handler); +// } +// else{ +// dof_handler=dofHandlersSet_nonconst.at(it->index); +// } +// dof_handler->distribute_dofs (*fe); +// totalDOFs+=dof_handler->n_dofs(); +// +// //extract locally_relevant_dofs +// IndexSet* locally_relevant_dofs; +// if (iter==0){ +// locally_relevant_dofs=new IndexSet; +// locally_relevant_dofsSet.push_back(locally_relevant_dofs); +// locally_relevant_dofsSet_nonconst.push_back(locally_relevant_dofs); +// } +// else{ +// locally_relevant_dofs=locally_relevant_dofsSet_nonconst.at(it->index); +// } +// locally_relevant_dofs->clear(); +// DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); +// +// //create constraints +// ConstraintMatrix *constraintsDirichlet, *constraintsOther; +// +// if (iter==0){ +// constraintsDirichlet=new ConstraintMatrix; constraintsDirichletSet.push_back(constraintsDirichlet); +// constraintsDirichletSet_nonconst.push_back(constraintsDirichlet); +// constraintsOther=new ConstraintMatrix; constraintsOtherSet.push_back(constraintsOther); +// constraintsOtherSet_nonconst.push_back(constraintsOther); +// valuesDirichletSet.push_back(new std::map); +// } +// else{ +// constraintsDirichlet=constraintsDirichletSet_nonconst.at(it->index); +// constraintsOther=constraintsOtherSet_nonconst.at(it->index); +// } +// constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); +// constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); +// DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); +// +// // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic +// std::vector rigidBodyModeComponents; +// getComponentsWithRigidBodyModes(rigidBodyModeComponents); +// setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); +// +// // Apply periodic BCs +// setPeriodicityConstraints(constraintsOther,dof_handler); +// +// +// // Apply Dirichlet BCs +// applyDirichletBCs(); +// +// constraintsDirichlet->close(); +// constraintsOther->close(); +// +// //store Dirichlet BC DOF's +// valuesDirichletSet[it->index]->clear(); +// for (types::global_dof_index i=0; in_dofs(); i++){ +// if (locally_relevant_dofs->is_element(i)){ +// if (constraintsDirichlet->is_constrained(i)){ +// (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); +// } +// } +// } +// +// sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ +// it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); +// pcout << buffer; +// } +// pcout << "total DOF : " << totalDOFs << std::endl; +// +// //setup the matrix free object +// typename MatrixFree::AdditionalData additional_data; +// additional_data.mpi_communicator = MPI_COMM_WORLD; +// additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; +// additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); +// QGaussLobatto<1> quadrature (finiteElementDegree+1); +// num_quadrature_points=std::pow(quadrature.size(),dim); +// matrixFreeObject.clear(); +// matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); +// +// //setup problem vectors +// pcout << "initializing parallel::distributed residual and solution vectors\n"; +// for(unsigned int fieldIndex=0; fieldIndexinterpolate(*solutionSet[fieldIndex]); +// delete soltransSet[fieldIndex]; +// +// //reset residual vector +// vectorType *R=residualSet.at(fieldIndex); +// matrixFreeObject.initialize_dof_vector(*R, fieldIndex); *R=0; +// } +// } +// +// //apply Dirichlet BC's +// if (isEllipticBVP){ +// constraintsDirichletSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); +// constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); +// } +// +// //create new solution transfer sets +// soltransSet.clear(); +// for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); +// } +// +// //apply initial conditions if iter=0, else transfer solution from previous refined mesh +// if (iter==0){ +// computing_timer.exit_section("matrixFreePDE: initialization"); +// adaptiveRefine(0); +// computing_timer.enter_section("matrixFreePDE: initialization"); +// applyInitialConditions(); +// } +// +// //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors +// for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); +// solutionSet[fieldIndex]->update_ghost_values(); +// } +// +// computing_timer.exit_section("matrixFreePDE: initialization"); +//} +// +//#endif + +//reinit() method for MatrixFreePDE class #ifndef INIT_MATRIXFREE_H #define INIT_MATRIXFREE_H @@ -11,65 +288,40 @@ //void MatrixFreePDE::init(std::vector >& _fields){ computing_timer.enter_section("matrixFreePDE: initialization"); - if (iter==0){ - //creating mesh - std::vector subdivisions; - subdivisions.push_back(subdivisionsX); - if (dim>1){ - subdivisions.push_back(subdivisionsY); - if (dim>2){ - subdivisions.push_back(subdivisionsZ); - } - } - - pcout << "creating problem mesh...\n"; - -#ifndef t_domain -#define t_domain false -#endif -#if t_domain == true - std::vector< unsigned int > repetitions(2); - repetitions[0]=15;//5*refineFactor; - repetitions[1]=3;//1*refineFactor; - Triangulation<2> tria1, tria2; - GridGenerator::subdivided_hyper_rectangle (tria1, repetitions, Point(-40,100), Point(60,120)); - repetitions[0]=3;//*refineFactor; - repetitions[1]=15;//*refineFactor; - GridGenerator::subdivided_hyper_rectangle (tria2, repetitions, Point(0,0), Point(20,100)); - GridGenerator::merge_triangulations (tria1, tria2, triangulation); -#else - #if problemDIM==3 - GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY,spanZ)); - #elif problemDIM==2 - GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY)); - #elif problemDIM==1 - GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX)); - #endif - - - // Mark boundaries for applying the boundary conditions - markBoundaries(); - - // Set which (if any) faces of the triangulation are periodic - setPeriodicity(); - -#endif - // Do the initial global refinement - triangulation.refine_global (refineFactor); - - - - // Write out the size of the computational domain and the total number of elements - pcout << "problem dimensions: " << spanX << "x" << spanY << "x" << spanZ << std::endl; - pcout << "number of elements: " << triangulation.n_global_active_cells() << std::endl; - pcout << std::endl; - - - } - else{ - refineGrid(); + //creating mesh + std::vector subdivisions; + subdivisions.push_back(subdivisionsX); + if (dim>1){ + subdivisions.push_back(subdivisionsY); + if (dim>2){ + subdivisions.push_back(subdivisionsZ); + } } - + + pcout << "creating problem mesh...\n"; + + #if problemDIM==3 + GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY,spanZ)); + #elif problemDIM==2 + GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY)); + #elif problemDIM==1 + GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX)); + #endif + + // Mark boundaries for applying the boundary conditions + markBoundaries(); + + // Set which (if any) faces of the triangulation are periodic + setPeriodicity(); + + // Do the initial global refinement + triangulation.refine_global (refineFactor); + + // Write out the size of the computational domain and the total number of elements + pcout << "problem dimensions: " << spanX << "x" << spanY << "x" << spanZ << std::endl; + pcout << "number of elements: " << triangulation.n_global_active_cells() << std::endl; + pcout << std::endl; + //setup system pcout << "initializing matrix free object\n"; unsigned int totalDOFs=0; @@ -77,86 +329,71 @@ currentFieldIndex=it->index; char buffer[100]; - if (iter==0){ - //print to std::out - sprintf(buffer,"initializing finite element space P^%u for %9s:%6s field '%s'\n", \ - finiteElementDegree, \ - (it->pdetype==PARABOLIC ? "PARABOLIC":"ELLIPTIC"), \ - (it->type==SCALAR ? "SCALAR":"VECTOR"), \ - it->name.c_str()); - pcout << buffer; - //check if any time dependent fields present - if (it->pdetype==PARABOLIC){ - isTimeDependentBVP=true; - parabolicFieldIndex=it->index; - } - else if (it->pdetype==ELLIPTIC){ - isEllipticBVP=true; - ellipticFieldIndex=it->index; - } + + //print to std::out + sprintf(buffer,"initializing finite element space P^%u for %9s:%6s field '%s'\n", \ + finiteElementDegree, \ + (it->pdetype==PARABOLIC ? "PARABOLIC":"ELLIPTIC"), \ + (it->type==SCALAR ? "SCALAR":"VECTOR"), \ + it->name.c_str()); + pcout << buffer; + //check if any time dependent fields present + if (it->pdetype==PARABOLIC){ + isTimeDependentBVP=true; + parabolicFieldIndex=it->index; + } + else if (it->pdetype==ELLIPTIC){ + isEllipticBVP=true; + ellipticFieldIndex=it->index; } - //create FESystem FESystem* fe; // - if (iter==0){ - if (it->type==SCALAR){ - fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),1); - } - else if (it->type==VECTOR){ - fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),dim); - } - else{ - pcout << "\nmatrixFreePDE.h: unknown field type\n"; - exit(-1); - } - FESet.push_back(fe); + + if (it->type==SCALAR){ + fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),1); + } + else if (it->type==VECTOR){ + fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),dim); } else{ - fe=FESet.at(it->index); + pcout << "\nmatrixFreePDE.h: unknown field type\n"; + exit(-1); } + FESet.push_back(fe); + + //distribute DOFs DoFHandler* dof_handler; - if (iter==0){ - dof_handler=new DoFHandler(triangulation); - dofHandlersSet.push_back(dof_handler); - dofHandlersSet_nonconst.push_back(dof_handler); - } - else{ - dof_handler=dofHandlersSet_nonconst.at(it->index); - } + + dof_handler=new DoFHandler(triangulation); + dofHandlersSet.push_back(dof_handler); + dofHandlersSet_nonconst.push_back(dof_handler); + dof_handler->distribute_dofs (*fe); totalDOFs+=dof_handler->n_dofs(); //extract locally_relevant_dofs IndexSet* locally_relevant_dofs; - if (iter==0){ - locally_relevant_dofs=new IndexSet; - locally_relevant_dofsSet.push_back(locally_relevant_dofs); - locally_relevant_dofsSet_nonconst.push_back(locally_relevant_dofs); - } - else{ - locally_relevant_dofs=locally_relevant_dofsSet_nonconst.at(it->index); - } + + locally_relevant_dofs=new IndexSet; + locally_relevant_dofsSet.push_back(locally_relevant_dofs); + locally_relevant_dofsSet_nonconst.push_back(locally_relevant_dofs); + locally_relevant_dofs->clear(); DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); //create constraints ConstraintMatrix *constraintsDirichlet, *constraintsOther; - if (iter==0){ - constraintsDirichlet=new ConstraintMatrix; constraintsDirichletSet.push_back(constraintsDirichlet); - constraintsDirichletSet_nonconst.push_back(constraintsDirichlet); - constraintsOther=new ConstraintMatrix; constraintsOtherSet.push_back(constraintsOther); - constraintsOtherSet_nonconst.push_back(constraintsOther); - valuesDirichletSet.push_back(new std::map); - } - else{ - constraintsDirichlet=constraintsDirichletSet_nonconst.at(it->index); - constraintsOther=constraintsOtherSet_nonconst.at(it->index); - } + constraintsDirichlet=new ConstraintMatrix; constraintsDirichletSet.push_back(constraintsDirichlet); + constraintsDirichletSet_nonconst.push_back(constraintsDirichlet); + constraintsOther=new ConstraintMatrix; constraintsOtherSet.push_back(constraintsOther); + constraintsOtherSet_nonconst.push_back(constraintsOther); + valuesDirichletSet.push_back(new std::map); + constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); @@ -206,14 +443,11 @@ pcout << "initializing parallel::distributed residual and solution vectors\n"; for(unsigned int fieldIndex=0; fieldIndexinterpolate(*solutionSet[fieldIndex]); - delete soltransSet[fieldIndex]; - - //reset residual vector - vectorType *R=residualSet.at(fieldIndex); - matrixFreeObject.initialize_dof_vector(*R, fieldIndex); *R=0; - } - } + // Apply the initial conditions. + // The initial conditions are re-applied below in the "adaptiveRefine" function so that the mesh can + // adapt based on the initial conditions. + applyInitialConditions(); - //apply Dirichlet BC's - if (isEllipticBVP){ - constraintsDirichletSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); - constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); - } + // Apply Dirichlet BC's +// if (isEllipticBVP){ +// constraintsDirichletSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); +// constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); +// } - //create new solution transfer sets + //create new solution transfer sets (Code seg faults without this, why is it needed? Should only be needed if transferring between meshes) + // Needed for the "refineGrid" call soltransSet.clear(); for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); } - //apply initial conditions if iter=0, else transfer solution from previous refined mesh - if (iter==0){ - adaptiveRefine(0); - applyInitialConditions(); - } - //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); solutionSet[fieldIndex]->update_ghost_values(); - } + } + + //check and perform adaptive mesh refinement + computing_timer.exit_section("matrixFreePDE: initialization"); + adaptiveRefine(0); + computing_timer.enter_section("matrixFreePDE: initialization"); + std::cout << "after refine (in init)!" << std::endl; + + // If adaptivity is turned off, apply initial conditions, Dirichlet constraints and ghost the solution vectors. + // If adaptivity is turned on, these operations were performed in the "reinit" in the "adaptiveRefine" call. +// if (hAdaptivity==false){ +// +// applyInitialConditions(); +// +// // Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors +// for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); +// solutionSet[fieldIndex]->update_ghost_values(); +// } +// } computing_timer.exit_section("matrixFreePDE: initialization"); } diff --git a/src/matrixfree/refine.cc b/src/matrixfree/refine.cc index 54860c73a..714ee0f2c 100644 --- a/src/matrixfree/refine.cc +++ b/src/matrixfree/refine.cc @@ -74,7 +74,7 @@ void MatrixFreePDE::refineGrid (){ template void MatrixFreePDE::refineMesh(unsigned int _currentIncrement){ #if hAdaptivity==true - init(_currentIncrement-1); + reinit(_currentIncrement-1); #endif } diff --git a/src/matrixfree/reinit.cc b/src/matrixfree/reinit.cc new file mode 100644 index 000000000..a5e277902 --- /dev/null +++ b/src/matrixfree/reinit.cc @@ -0,0 +1,147 @@ +//init() method for MatrixFreePDE class + +#ifndef REINIT_MATRIXFREE_H +#define REINIT_MATRIXFREE_H +//this source file is temporarily treated as a header file (hence +//#ifndef's) till library packaging scheme is finalized + + //populate with fields and setup matrix free system + template + void MatrixFreePDE::reinit(unsigned int iter){ + //void MatrixFreePDE::init(std::vector >& _fields){ + std::cout << "start of reinit!" << std::endl; + computing_timer.enter_section("matrixFreePDE: initialization"); + + refineGrid(); + + //setup system + pcout << "Reinitializing matrix free object\n"; + unsigned int totalDOFs=0; + for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ + currentFieldIndex=it->index; + + char buffer[100]; + + //create FESystem + FESystem* fe; + fe=FESet.at(it->index); + + //distribute DOFs + DoFHandler* dof_handler; + dof_handler=dofHandlersSet_nonconst.at(it->index); + + dof_handler->distribute_dofs (*fe); + totalDOFs+=dof_handler->n_dofs(); + + //extract locally_relevant_dofs + IndexSet* locally_relevant_dofs; + locally_relevant_dofs=locally_relevant_dofsSet_nonconst.at(it->index); + + locally_relevant_dofs->clear(); + DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); + + //create constraints + ConstraintMatrix *constraintsDirichlet, *constraintsOther; + + constraintsDirichlet=constraintsDirichletSet_nonconst.at(it->index); + constraintsOther=constraintsOtherSet_nonconst.at(it->index); + + constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); + constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); + DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); + + // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic + std::vector rigidBodyModeComponents; + getComponentsWithRigidBodyModes(rigidBodyModeComponents); + setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); + + // Apply periodic BCs + setPeriodicityConstraints(constraintsOther,dof_handler); + + // Apply Dirichlet BCs + applyDirichletBCs(); + + constraintsDirichlet->close(); + constraintsOther->close(); + + //store Dirichlet BC DOF's + valuesDirichletSet[it->index]->clear(); + for (types::global_dof_index i=0; in_dofs(); i++){ + if (locally_relevant_dofs->is_element(i)){ + if (constraintsDirichlet->is_constrained(i)){ + (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); + } + } + } + + sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ + it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); + pcout << buffer; + } + pcout << "total DOF : " << totalDOFs << std::endl; + + //setup the matrix free object + typename MatrixFree::AdditionalData additional_data; + additional_data.mpi_communicator = MPI_COMM_WORLD; + additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; + additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); + QGaussLobatto<1> quadrature (finiteElementDegree+1); + num_quadrature_points=std::pow(quadrature.size(),dim); + matrixFreeObject.clear(); + matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); + + //setup problem vectors + pcout << "initializing parallel::distributed residual and solution vectors\n"; + for(unsigned int fieldIndex=0; fieldIndexinterpolate(*solutionSet[fieldIndex]); + delete soltransSet[fieldIndex]; + + //reset residual vector + vectorType *R=residualSet.at(fieldIndex); + matrixFreeObject.initialize_dof_vector(*R, fieldIndex); *R=0; + } + + // apply Dirichlet BC's +// if (isEllipticBVP){ +// constraintsDirichletSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); +// constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); +// } + + //create new solution transfer sets + soltransSet.clear(); + for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); + } + + //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors + for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); + solutionSet[fieldIndex]->update_ghost_values(); + } + std::cout << "end of reinit!" << std::endl; + computing_timer.exit_section("matrixFreePDE: initialization"); +} + +#endif diff --git a/src/matrixfree/solve.cc b/src/matrixfree/solve.cc index 2fc043a3c..6f7ee50a5 100644 --- a/src/matrixfree/solve.cc +++ b/src/matrixfree/solve.cc @@ -77,7 +77,7 @@ void MatrixFreePDE::solve(){ //check and perform adaptive mesh refinement computing_timer.enter_section("matrixFreePDE: AMR"); - adaptiveRefine(0); + //adaptiveRefine(0); computing_timer.exit_section("matrixFreePDE: AMR"); //solve diff --git a/src/matrixfree/solveIncrement.cc b/src/matrixfree/solveIncrement.cc index 2941c282f..5a11c10c1 100644 --- a/src/matrixfree/solveIncrement.cc +++ b/src/matrixfree/solveIncrement.cc @@ -27,8 +27,8 @@ void MatrixFreePDE::solveIncrement(){ if (fields[fieldIndex].pdetype==PARABOLIC){ //explicit-time step each DOF for (unsigned int dof=0; doflocal_size(); ++dof){ - solutionSet[fieldIndex]->local_element(dof)= \ - invM.local_element(dof)*residualSet[fieldIndex]->local_element(dof); + solutionSet[fieldIndex]->local_element(dof)= \ + invM.local_element(dof)*residualSet[fieldIndex]->local_element(dof); } // //apply constraints @@ -66,13 +66,14 @@ void MatrixFreePDE::solveIncrement(){ //solve try{ - dU=0; + dU=0.0; solver.solve(*this, dU, *residualSet[fieldIndex], IdentityMatrix(solutionSet[fieldIndex]->size())); } catch (...) { pcout << "\nWarning: implicit solver did not converge as per set tolerances. consider increasing maxSolverIterations or decreasing solverTolerance.\n"; } *solutionSet[fieldIndex]+=dU; + //*solutionSet[fieldIndex]=dU; //apply constraints constraintsOtherSet[fieldIndex]->distribute(*solutionSet[fieldIndex]); diff --git a/src/models/coupled/generalized_model_functions.h b/src/models/coupled/generalized_model_functions.h index 73db410db..ca18f210d 100644 --- a/src/models/coupled/generalized_model_functions.h +++ b/src/models/coupled/generalized_model_functions.h @@ -623,7 +623,9 @@ void generalizedProblem::adaptiveRefine(unsigned int currentIncrement){ if ( (currentIncrement == 0) ){ for (unsigned int remesh_index=0; remesh_index < (maxRefinementLevel-minRefinementLevel); remesh_index++){ + std::cout << "before refine!" << std::endl; this->refineMesh(currentIncrement); + std::cout << "after refine!" << std::endl; } } else if ( (currentIncrement%skipRemeshingSteps==0) ){ From 688c511e0aeceb748003b6b3fdf6d5315b046940 Mon Sep 17 00:00:00 2001 From: Stephen DeWitt Date: Tue, 24 Jan 2017 11:12:32 -0500 Subject: [PATCH 03/36] Fully fixed bug in Dirichlet BCs for pure elliptic problems --- applications/mechanics/ICs_and_BCs.h | 6 +++--- src/matrixfree/solve.cc | 7 +++++++ src/matrixfree/solveIncrement.cc | 3 +-- 3 files changed, 11 insertions(+), 5 deletions(-) diff --git a/applications/mechanics/ICs_and_BCs.h b/applications/mechanics/ICs_and_BCs.h index d0e4d6d55..b93163225 100644 --- a/applications/mechanics/ICs_and_BCs.h +++ b/applications/mechanics/ICs_and_BCs.h @@ -83,9 +83,9 @@ void generalizedProblem::setBCs(){ // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction // two for the minimum of the second direction, etc. - inputBCs(4,0,"DIRICHLET",-0.1, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); - inputBCs(4,1,"DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); - inputBCs(4,2,"DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); + inputBCs(4,0,"DIRICHLET",-1.0, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); + inputBCs(4,1,"DIRICHLET",0.0, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); + inputBCs(4,2,"DIRICHLET",0.0, "DIRICHLET",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0, "ZERO_DERIVATIVE",0.0); } diff --git a/src/matrixfree/solve.cc b/src/matrixfree/solve.cc index 6f7ee50a5..db4d64428 100644 --- a/src/matrixfree/solve.cc +++ b/src/matrixfree/solve.cc @@ -82,6 +82,13 @@ void MatrixFreePDE::solve(){ //solve solveIncrement(); + + //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors + for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); + solutionSet[fieldIndex]->update_ghost_values(); + } + //output results to file if (writeOutput){ outputResults(); diff --git a/src/matrixfree/solveIncrement.cc b/src/matrixfree/solveIncrement.cc index 5a11c10c1..c1ab2fc3b 100644 --- a/src/matrixfree/solveIncrement.cc +++ b/src/matrixfree/solveIncrement.cc @@ -73,9 +73,8 @@ void MatrixFreePDE::solveIncrement(){ pcout << "\nWarning: implicit solver did not converge as per set tolerances. consider increasing maxSolverIterations or decreasing solverTolerance.\n"; } *solutionSet[fieldIndex]+=dU; - //*solutionSet[fieldIndex]=dU; - //apply constraints + // Apply hanging node and periodic constraints constraintsOtherSet[fieldIndex]->distribute(*solutionSet[fieldIndex]); //sync ghost DOF's solutionSet[fieldIndex]->update_ghost_values(); From 6e0ee58b839081b3f1436382aed17ac064956bb9 Mon Sep 17 00:00:00 2001 From: Stephen DeWitt Date: Tue, 24 Jan 2017 11:58:33 -0500 Subject: [PATCH 04/36] clean up init and reinit --- src/matrixfree/init.cc | 665 +++++------------- src/matrixfree/reinit.cc | 252 ++++--- .../coupled/generalized_model_functions.h | 4 +- version_changes.txt | 6 +- 4 files changed, 310 insertions(+), 617 deletions(-) diff --git a/src/matrixfree/init.cc b/src/matrixfree/init.cc index c69529f98..47e3e3953 100644 --- a/src/matrixfree/init.cc +++ b/src/matrixfree/init.cc @@ -1,281 +1,4 @@ -////init() method for MatrixFreePDE class -// -//#ifndef INIT_MATRIXFREE_H -//#define INIT_MATRIXFREE_H -////this source file is temporarily treated as a header file (hence -////#ifndef's) till library packaging scheme is finalized -// -// //populate with fields and setup matrix free system -// template -// void MatrixFreePDE::init(unsigned int iter){ -// //void MatrixFreePDE::init(std::vector >& _fields){ -// computing_timer.enter_section("matrixFreePDE: initialization"); -// -// if (iter==0){ -// //creating mesh -// std::vector subdivisions; -// subdivisions.push_back(subdivisionsX); -// if (dim>1){ -// subdivisions.push_back(subdivisionsY); -// if (dim>2){ -// subdivisions.push_back(subdivisionsZ); -// } -// } -// -// pcout << "creating problem mesh...\n"; -// -//#ifndef t_domain -//#define t_domain false -//#endif -//#if t_domain == true -// std::vector< unsigned int > repetitions(2); -// repetitions[0]=15;//5*refineFactor; -// repetitions[1]=3;//1*refineFactor; -// Triangulation<2> tria1, tria2; -// GridGenerator::subdivided_hyper_rectangle (tria1, repetitions, Point(-40,100), Point(60,120)); -// repetitions[0]=3;//*refineFactor; -// repetitions[1]=15;//*refineFactor; -// GridGenerator::subdivided_hyper_rectangle (tria2, repetitions, Point(0,0), Point(20,100)); -// GridGenerator::merge_triangulations (tria1, tria2, triangulation); -//#else -// #if problemDIM==3 -// GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY,spanZ)); -// #elif problemDIM==2 -// GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY)); -// #elif problemDIM==1 -// GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX)); -// #endif -// -// -// // Mark boundaries for applying the boundary conditions -// markBoundaries(); -// -// // Set which (if any) faces of the triangulation are periodic -// setPeriodicity(); -// -//#endif -// // Do the initial global refinement -// triangulation.refine_global (refineFactor); -// -// -// -// // Write out the size of the computational domain and the total number of elements -// pcout << "problem dimensions: " << spanX << "x" << spanY << "x" << spanZ << std::endl; -// pcout << "number of elements: " << triangulation.n_global_active_cells() << std::endl; -// pcout << std::endl; -// -// -// } -// else{ -// refineGrid(); -// } -// -// //setup system -// pcout << "initializing matrix free object\n"; -// unsigned int totalDOFs=0; -// for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ -// currentFieldIndex=it->index; -// -// char buffer[100]; -// if (iter==0){ -// //print to std::out -// sprintf(buffer,"initializing finite element space P^%u for %9s:%6s field '%s'\n", \ -// finiteElementDegree, \ -// (it->pdetype==PARABOLIC ? "PARABOLIC":"ELLIPTIC"), \ -// (it->type==SCALAR ? "SCALAR":"VECTOR"), \ -// it->name.c_str()); -// pcout << buffer; -// //check if any time dependent fields present -// if (it->pdetype==PARABOLIC){ -// isTimeDependentBVP=true; -// parabolicFieldIndex=it->index; -// } -// else if (it->pdetype==ELLIPTIC){ -// isEllipticBVP=true; -// ellipticFieldIndex=it->index; -// } -// } -// -// -// //create FESystem -// FESystem* fe; -// // -// if (iter==0){ -// if (it->type==SCALAR){ -// fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),1); -// } -// else if (it->type==VECTOR){ -// fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),dim); -// } -// else{ -// pcout << "\nmatrixFreePDE.h: unknown field type\n"; -// exit(-1); -// } -// FESet.push_back(fe); -// } -// else{ -// fe=FESet.at(it->index); -// } -// -// //distribute DOFs -// DoFHandler* dof_handler; -// if (iter==0){ -// dof_handler=new DoFHandler(triangulation); -// dofHandlersSet.push_back(dof_handler); -// dofHandlersSet_nonconst.push_back(dof_handler); -// } -// else{ -// dof_handler=dofHandlersSet_nonconst.at(it->index); -// } -// dof_handler->distribute_dofs (*fe); -// totalDOFs+=dof_handler->n_dofs(); -// -// //extract locally_relevant_dofs -// IndexSet* locally_relevant_dofs; -// if (iter==0){ -// locally_relevant_dofs=new IndexSet; -// locally_relevant_dofsSet.push_back(locally_relevant_dofs); -// locally_relevant_dofsSet_nonconst.push_back(locally_relevant_dofs); -// } -// else{ -// locally_relevant_dofs=locally_relevant_dofsSet_nonconst.at(it->index); -// } -// locally_relevant_dofs->clear(); -// DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); -// -// //create constraints -// ConstraintMatrix *constraintsDirichlet, *constraintsOther; -// -// if (iter==0){ -// constraintsDirichlet=new ConstraintMatrix; constraintsDirichletSet.push_back(constraintsDirichlet); -// constraintsDirichletSet_nonconst.push_back(constraintsDirichlet); -// constraintsOther=new ConstraintMatrix; constraintsOtherSet.push_back(constraintsOther); -// constraintsOtherSet_nonconst.push_back(constraintsOther); -// valuesDirichletSet.push_back(new std::map); -// } -// else{ -// constraintsDirichlet=constraintsDirichletSet_nonconst.at(it->index); -// constraintsOther=constraintsOtherSet_nonconst.at(it->index); -// } -// constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); -// constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); -// DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); -// -// // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic -// std::vector rigidBodyModeComponents; -// getComponentsWithRigidBodyModes(rigidBodyModeComponents); -// setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); -// -// // Apply periodic BCs -// setPeriodicityConstraints(constraintsOther,dof_handler); -// -// -// // Apply Dirichlet BCs -// applyDirichletBCs(); -// -// constraintsDirichlet->close(); -// constraintsOther->close(); -// -// //store Dirichlet BC DOF's -// valuesDirichletSet[it->index]->clear(); -// for (types::global_dof_index i=0; in_dofs(); i++){ -// if (locally_relevant_dofs->is_element(i)){ -// if (constraintsDirichlet->is_constrained(i)){ -// (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); -// } -// } -// } -// -// sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ -// it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); -// pcout << buffer; -// } -// pcout << "total DOF : " << totalDOFs << std::endl; -// -// //setup the matrix free object -// typename MatrixFree::AdditionalData additional_data; -// additional_data.mpi_communicator = MPI_COMM_WORLD; -// additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; -// additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); -// QGaussLobatto<1> quadrature (finiteElementDegree+1); -// num_quadrature_points=std::pow(quadrature.size(),dim); -// matrixFreeObject.clear(); -// matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); -// -// //setup problem vectors -// pcout << "initializing parallel::distributed residual and solution vectors\n"; -// for(unsigned int fieldIndex=0; fieldIndexinterpolate(*solutionSet[fieldIndex]); -// delete soltransSet[fieldIndex]; -// -// //reset residual vector -// vectorType *R=residualSet.at(fieldIndex); -// matrixFreeObject.initialize_dof_vector(*R, fieldIndex); *R=0; -// } -// } -// -// //apply Dirichlet BC's -// if (isEllipticBVP){ -// constraintsDirichletSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); -// constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); -// } -// -// //create new solution transfer sets -// soltransSet.clear(); -// for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); -// } -// -// //apply initial conditions if iter=0, else transfer solution from previous refined mesh -// if (iter==0){ -// computing_timer.exit_section("matrixFreePDE: initialization"); -// adaptiveRefine(0); -// computing_timer.enter_section("matrixFreePDE: initialization"); -// applyInitialConditions(); -// } -// -// //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors -// for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); -// solutionSet[fieldIndex]->update_ghost_values(); -// } -// -// computing_timer.exit_section("matrixFreePDE: initialization"); -//} -// -//#endif - -//reinit() method for MatrixFreePDE class +// init() method for MatrixFreePDE class #ifndef INIT_MATRIXFREE_H #define INIT_MATRIXFREE_H @@ -285,227 +8,201 @@ //populate with fields and setup matrix free system template void MatrixFreePDE::init(unsigned int iter){ - //void MatrixFreePDE::init(std::vector >& _fields){ - computing_timer.enter_section("matrixFreePDE: initialization"); - - //creating mesh - std::vector subdivisions; - subdivisions.push_back(subdivisionsX); - if (dim>1){ - subdivisions.push_back(subdivisionsY); - if (dim>2){ - subdivisions.push_back(subdivisionsZ); - } - } - - pcout << "creating problem mesh...\n"; - - #if problemDIM==3 - GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY,spanZ)); - #elif problemDIM==2 - GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY)); - #elif problemDIM==1 - GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX)); - #endif - - // Mark boundaries for applying the boundary conditions - markBoundaries(); - - // Set which (if any) faces of the triangulation are periodic - setPeriodicity(); - - // Do the initial global refinement - triangulation.refine_global (refineFactor); - - // Write out the size of the computational domain and the total number of elements - pcout << "problem dimensions: " << spanX << "x" << spanY << "x" << spanZ << std::endl; - pcout << "number of elements: " << triangulation.n_global_active_cells() << std::endl; - pcout << std::endl; + computing_timer.enter_section("matrixFreePDE: initialization"); + + //creating mesh + std::vector subdivisions; + subdivisions.push_back(subdivisionsX); + if (dim>1){ + subdivisions.push_back(subdivisionsY); + if (dim>2){ + subdivisions.push_back(subdivisionsZ); + } + } + + pcout << "creating problem mesh...\n"; + + #if problemDIM==3 + GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY,spanZ)); + #elif problemDIM==2 + GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX,spanY)); + #elif problemDIM==1 + GridGenerator::subdivided_hyper_rectangle (triangulation, subdivisions, Point(), Point(spanX)); + #endif + + // Mark boundaries for applying the boundary conditions + markBoundaries(); + + // Set which (if any) faces of the triangulation are periodic + setPeriodicity(); + + // Do the initial global refinement + triangulation.refine_global (refineFactor); + + // Write out the size of the computational domain and the total number of elements + pcout << "problem dimensions: " << spanX << "x" << spanY << "x" << spanZ << std::endl; + pcout << "number of elements: " << triangulation.n_global_active_cells() << std::endl; + pcout << std::endl; - //setup system - pcout << "initializing matrix free object\n"; - unsigned int totalDOFs=0; - for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ - currentFieldIndex=it->index; + // Setup system + pcout << "initializing matrix free object\n"; + unsigned int totalDOFs=0; + for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ + currentFieldIndex=it->index; - char buffer[100]; + char buffer[100]; - //print to std::out - sprintf(buffer,"initializing finite element space P^%u for %9s:%6s field '%s'\n", \ + //print to std::out + sprintf(buffer,"initializing finite element space P^%u for %9s:%6s field '%s'\n", \ finiteElementDegree, \ (it->pdetype==PARABOLIC ? "PARABOLIC":"ELLIPTIC"), \ (it->type==SCALAR ? "SCALAR":"VECTOR"), \ it->name.c_str()); - pcout << buffer; - //check if any time dependent fields present - if (it->pdetype==PARABOLIC){ - isTimeDependentBVP=true; - parabolicFieldIndex=it->index; - } - else if (it->pdetype==ELLIPTIC){ - isEllipticBVP=true; - ellipticFieldIndex=it->index; - } - - //create FESystem - FESystem* fe; - // - - if (it->type==SCALAR){ - fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),1); - } - else if (it->type==VECTOR){ - fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),dim); - } - else{ - pcout << "\nmatrixFreePDE.h: unknown field type\n"; - exit(-1); - } - FESet.push_back(fe); - - - - //distribute DOFs - DoFHandler* dof_handler; - - dof_handler=new DoFHandler(triangulation); - dofHandlersSet.push_back(dof_handler); - dofHandlersSet_nonconst.push_back(dof_handler); - - dof_handler->distribute_dofs (*fe); - totalDOFs+=dof_handler->n_dofs(); - - //extract locally_relevant_dofs - IndexSet* locally_relevant_dofs; - - locally_relevant_dofs=new IndexSet; - locally_relevant_dofsSet.push_back(locally_relevant_dofs); - locally_relevant_dofsSet_nonconst.push_back(locally_relevant_dofs); - - locally_relevant_dofs->clear(); - DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); - - //create constraints - ConstraintMatrix *constraintsDirichlet, *constraintsOther; - - constraintsDirichlet=new ConstraintMatrix; constraintsDirichletSet.push_back(constraintsDirichlet); - constraintsDirichletSet_nonconst.push_back(constraintsDirichlet); - constraintsOther=new ConstraintMatrix; constraintsOtherSet.push_back(constraintsOther); - constraintsOtherSet_nonconst.push_back(constraintsOther); - valuesDirichletSet.push_back(new std::map); - - constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); - constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); - DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); - - // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic - std::vector rigidBodyModeComponents; - getComponentsWithRigidBodyModes(rigidBodyModeComponents); - setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); - - // Apply periodic BCs - setPeriodicityConstraints(constraintsOther,dof_handler); - - - // Apply Dirichlet BCs - applyDirichletBCs(); - - constraintsDirichlet->close(); - constraintsOther->close(); - - //store Dirichlet BC DOF's - valuesDirichletSet[it->index]->clear(); - for (types::global_dof_index i=0; in_dofs(); i++){ - if (locally_relevant_dofs->is_element(i)){ - if (constraintsDirichlet->is_constrained(i)){ - (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); - } - } - } - - sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ - it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); - pcout << buffer; - } - pcout << "total DOF : " << totalDOFs << std::endl; - - //setup the matrix free object - typename MatrixFree::AdditionalData additional_data; - additional_data.mpi_communicator = MPI_COMM_WORLD; - additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; - additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); - QGaussLobatto<1> quadrature (finiteElementDegree+1); - num_quadrature_points=std::pow(quadrature.size(),dim); - matrixFreeObject.clear(); - matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); + pcout << buffer; + //check if any time dependent fields present + if (it->pdetype==PARABOLIC){ + isTimeDependentBVP=true; + parabolicFieldIndex=it->index; + } + else if (it->pdetype==ELLIPTIC){ + isEllipticBVP=true; + ellipticFieldIndex=it->index; + } + + //create FESystem + FESystem* fe; + + if (it->type==SCALAR){ + fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),1); + } + else if (it->type==VECTOR){ + fe=new FESystem(FE_Q(QGaussLobatto<1>(finiteElementDegree+1)),dim); + } + else{ + pcout << "\nmatrixFreePDE.h: unknown field type\n"; + exit(-1); + } + FESet.push_back(fe); + + //distribute DOFs + DoFHandler* dof_handler; + + dof_handler=new DoFHandler(triangulation); + dofHandlersSet.push_back(dof_handler); + dofHandlersSet_nonconst.push_back(dof_handler); + + dof_handler->distribute_dofs (*fe); + totalDOFs+=dof_handler->n_dofs(); + + // Extract locally_relevant_dofs + IndexSet* locally_relevant_dofs; + + locally_relevant_dofs=new IndexSet; + locally_relevant_dofsSet.push_back(locally_relevant_dofs); + locally_relevant_dofsSet_nonconst.push_back(locally_relevant_dofs); + + locally_relevant_dofs->clear(); + DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); + + // Create constraints + ConstraintMatrix *constraintsDirichlet, *constraintsOther; + + constraintsDirichlet=new ConstraintMatrix; constraintsDirichletSet.push_back(constraintsDirichlet); + constraintsDirichletSet_nonconst.push_back(constraintsDirichlet); + constraintsOther=new ConstraintMatrix; constraintsOtherSet.push_back(constraintsOther); + constraintsOtherSet_nonconst.push_back(constraintsOther); + valuesDirichletSet.push_back(new std::map); + + constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); + constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); + + // Get hanging node constraints + DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); + + // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic + std::vector rigidBodyModeComponents; + getComponentsWithRigidBodyModes(rigidBodyModeComponents); + setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); + + // Get constraints for periodic BCs + setPeriodicityConstraints(constraintsOther,dof_handler); + + + // Get constraints for Dirichlet BCs + applyDirichletBCs(); + + constraintsDirichlet->close(); + constraintsOther->close(); + + // Store Dirichlet BC DOF's + valuesDirichletSet[it->index]->clear(); + for (types::global_dof_index i=0; in_dofs(); i++){ + if (locally_relevant_dofs->is_element(i)){ + if (constraintsDirichlet->is_constrained(i)){ + (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); + } + } + } + + sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ + it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); + pcout << buffer; + } + pcout << "total DOF : " << totalDOFs << std::endl; + + // Setup the matrix free object + typename MatrixFree::AdditionalData additional_data; + additional_data.mpi_communicator = MPI_COMM_WORLD; + additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; + additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); + QGaussLobatto<1> quadrature (finiteElementDegree+1); + matrixFreeObject.clear(); + matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); - //setup problem vectors - pcout << "initializing parallel::distributed residual and solution vectors\n"; - for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet.at(ellipticFieldIndex)); -// constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); -// } + // Apply the initial conditions to the solution vectors + // The initial conditions are re-applied below in the "adaptiveRefine" function so that the mesh can + // adapt based on the initial conditions. + applyInitialConditions(); - //create new solution transfer sets (Code seg faults without this, why is it needed? Should only be needed if transferring between meshes) - // Needed for the "refineGrid" call - soltransSet.clear(); - for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); - } + // Create new solution transfer sets (needed for the "refineGrid" call, might be able to move this elsewhere) + soltransSet.clear(); + for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); + } - //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors - for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); - solutionSet[fieldIndex]->update_ghost_values(); - } - - //check and perform adaptive mesh refinement - computing_timer.exit_section("matrixFreePDE: initialization"); - adaptiveRefine(0); - computing_timer.enter_section("matrixFreePDE: initialization"); - std::cout << "after refine (in init)!" << std::endl; - - // If adaptivity is turned off, apply initial conditions, Dirichlet constraints and ghost the solution vectors. - // If adaptivity is turned on, these operations were performed in the "reinit" in the "adaptiveRefine" call. -// if (hAdaptivity==false){ -// -// applyInitialConditions(); -// -// // Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors -// for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); -// solutionSet[fieldIndex]->update_ghost_values(); -// } -// } - - computing_timer.exit_section("matrixFreePDE: initialization"); + // Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors + for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); + solutionSet[fieldIndex]->update_ghost_values(); + } + + // Check and perform adaptive mesh refinement, which reinitializes the system with the new mesh + adaptiveRefine(0); + + computing_timer.exit_section("matrixFreePDE: initialization"); } #endif diff --git a/src/matrixfree/reinit.cc b/src/matrixfree/reinit.cc index a5e277902..d6e772ba5 100644 --- a/src/matrixfree/reinit.cc +++ b/src/matrixfree/reinit.cc @@ -1,4 +1,4 @@ -//init() method for MatrixFreePDE class +// reinit() method for MatrixFreePDE class #ifndef REINIT_MATRIXFREE_H #define REINIT_MATRIXFREE_H @@ -8,140 +8,134 @@ //populate with fields and setup matrix free system template void MatrixFreePDE::reinit(unsigned int iter){ - //void MatrixFreePDE::init(std::vector >& _fields){ - std::cout << "start of reinit!" << std::endl; - computing_timer.enter_section("matrixFreePDE: initialization"); - - refineGrid(); - - //setup system - pcout << "Reinitializing matrix free object\n"; - unsigned int totalDOFs=0; - for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ - currentFieldIndex=it->index; - - char buffer[100]; - - //create FESystem - FESystem* fe; - fe=FESet.at(it->index); - - //distribute DOFs - DoFHandler* dof_handler; - dof_handler=dofHandlersSet_nonconst.at(it->index); - - dof_handler->distribute_dofs (*fe); - totalDOFs+=dof_handler->n_dofs(); - - //extract locally_relevant_dofs - IndexSet* locally_relevant_dofs; - locally_relevant_dofs=locally_relevant_dofsSet_nonconst.at(it->index); - - locally_relevant_dofs->clear(); - DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); - - //create constraints - ConstraintMatrix *constraintsDirichlet, *constraintsOther; - - constraintsDirichlet=constraintsDirichletSet_nonconst.at(it->index); - constraintsOther=constraintsOtherSet_nonconst.at(it->index); - - constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); - constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); - DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); - - // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic - std::vector rigidBodyModeComponents; - getComponentsWithRigidBodyModes(rigidBodyModeComponents); - setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); - - // Apply periodic BCs - setPeriodicityConstraints(constraintsOther,dof_handler); - - // Apply Dirichlet BCs - applyDirichletBCs(); - - constraintsDirichlet->close(); - constraintsOther->close(); - - //store Dirichlet BC DOF's - valuesDirichletSet[it->index]->clear(); - for (types::global_dof_index i=0; in_dofs(); i++){ - if (locally_relevant_dofs->is_element(i)){ - if (constraintsDirichlet->is_constrained(i)){ - (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); - } - } - } - - sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ - it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); - pcout << buffer; - } - pcout << "total DOF : " << totalDOFs << std::endl; - - //setup the matrix free object - typename MatrixFree::AdditionalData additional_data; - additional_data.mpi_communicator = MPI_COMM_WORLD; - additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; - additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); - QGaussLobatto<1> quadrature (finiteElementDegree+1); - num_quadrature_points=std::pow(quadrature.size(),dim); - matrixFreeObject.clear(); - matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); + + computing_timer.enter_section("matrixFreePDE: reinitialization"); + + refineGrid(); + + //setup system + pcout << "Reinitializing matrix free object\n"; + unsigned int totalDOFs=0; + for(typename std::vector >::iterator it = fields.begin(); it != fields.end(); ++it){ + currentFieldIndex=it->index; + + char buffer[100]; + + //create FESystem + FESystem* fe; + fe=FESet.at(it->index); + + //distribute DOFs + DoFHandler* dof_handler; + dof_handler=dofHandlersSet_nonconst.at(it->index); + + dof_handler->distribute_dofs (*fe); + totalDOFs+=dof_handler->n_dofs(); + + //extract locally_relevant_dofs + IndexSet* locally_relevant_dofs; + locally_relevant_dofs=locally_relevant_dofsSet_nonconst.at(it->index); + + locally_relevant_dofs->clear(); + DoFTools::extract_locally_relevant_dofs (*dof_handler, *locally_relevant_dofs); + + //create constraints + ConstraintMatrix *constraintsDirichlet, *constraintsOther; + + constraintsDirichlet=constraintsDirichletSet_nonconst.at(it->index); + constraintsOther=constraintsOtherSet_nonconst.at(it->index); + + constraintsDirichlet->clear(); constraintsDirichlet->reinit(*locally_relevant_dofs); + constraintsOther->clear(); constraintsOther->reinit(*locally_relevant_dofs); + + // Get hanging node constraints + DoFTools::make_hanging_node_constraints (*dof_handler, *constraintsOther); + + // Add a constraint to fix the value at the origin to zero if all BCs are zero-derivative or periodic + std::vector rigidBodyModeComponents; + getComponentsWithRigidBodyModes(rigidBodyModeComponents); + setRigidBodyModeConstraints(rigidBodyModeComponents,constraintsOther,dof_handler); + + // Get constraints for periodic BCs + setPeriodicityConstraints(constraintsOther,dof_handler); + + // Get constraints for Dirichlet BCs + applyDirichletBCs(); + + constraintsDirichlet->close(); + constraintsOther->close(); + + // Store Dirichlet BC DOF's + valuesDirichletSet[it->index]->clear(); + for (types::global_dof_index i=0; in_dofs(); i++){ + if (locally_relevant_dofs->is_element(i)){ + if (constraintsDirichlet->is_constrained(i)){ + (*valuesDirichletSet[it->index])[i] = constraintsDirichlet->get_inhomogeneity(i); + } + } + } + + sprintf(buffer, "field '%2s' DOF : %u (Constraint DOF : %u)\n", \ + it->name.c_str(), dof_handler->n_dofs(), constraintsDirichlet->n_constraints()); + pcout << buffer; + } + pcout << "total DOF : " << totalDOFs << std::endl; + + // Setup the matrix free object + typename MatrixFree::AdditionalData additional_data; + additional_data.mpi_communicator = MPI_COMM_WORLD; + additional_data.tasks_parallel_scheme = MatrixFree::AdditionalData::partition_partition; + additional_data.mapping_update_flags = (update_values | update_gradients | update_JxW_values | update_quadrature_points); + QGaussLobatto<1> quadrature (finiteElementDegree+1); + matrixFreeObject.clear(); + matrixFreeObject.reinit (dofHandlersSet, constraintsOtherSet, quadrature, additional_data); - //setup problem vectors - pcout << "initializing parallel::distributed residual and solution vectors\n"; - for(unsigned int fieldIndex=0; fieldIndexinterpolate(*solutionSet[fieldIndex]); - delete soltransSet[fieldIndex]; - - //reset residual vector - vectorType *R=residualSet.at(fieldIndex); - matrixFreeObject.initialize_dof_vector(*R, fieldIndex); *R=0; - } - - // apply Dirichlet BC's -// if (isEllipticBVP){ -// constraintsDirichletSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); -// constraintsOtherSet[ellipticFieldIndex]->distribute(*solutionSet.at(ellipticFieldIndex)); -// } + // Compute invM in PDE is a time-dependent BVP + if (isTimeDependentBVP){ + computeInvM(); + } + + // Transfer solution from previous mesh + for(unsigned int fieldIndex=0; fieldIndexinterpolate(*solutionSet[fieldIndex]); + delete soltransSet[fieldIndex]; + + //reset residual vector + vectorType *R=residualSet.at(fieldIndex); + matrixFreeObject.initialize_dof_vector(*R, fieldIndex); *R=0; + } - //create new solution transfer sets - soltransSet.clear(); - for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); - } - - //Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors - for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); - solutionSet[fieldIndex]->update_ghost_values(); - } - std::cout << "end of reinit!" << std::endl; - computing_timer.exit_section("matrixFreePDE: initialization"); + // Create new solution transfer sets + soltransSet.clear(); + for(unsigned int fieldIndex=0; fieldIndex(*dofHandlersSet_nonconst[fieldIndex])); + } + + // Ghost the solution vectors. Also apply the Dirichet BC's (if any) on the solution vectors + for(unsigned int fieldIndex=0; fieldIndexdistribute(*solutionSet[fieldIndex]); + solutionSet[fieldIndex]->update_ghost_values(); + } + + computing_timer.exit_section("matrixFreePDE: reinitialization"); } #endif diff --git a/src/models/coupled/generalized_model_functions.h b/src/models/coupled/generalized_model_functions.h index ca18f210d..8224a9113 100644 --- a/src/models/coupled/generalized_model_functions.h +++ b/src/models/coupled/generalized_model_functions.h @@ -623,9 +623,7 @@ void generalizedProblem::adaptiveRefine(unsigned int currentIncrement){ if ( (currentIncrement == 0) ){ for (unsigned int remesh_index=0; remesh_index < (maxRefinementLevel-minRefinementLevel); remesh_index++){ - std::cout << "before refine!" << std::endl; this->refineMesh(currentIncrement); - std::cout << "after refine!" << std::endl; } } else if ( (currentIncrement%skipRemeshingSteps==0) ){ @@ -1148,7 +1146,7 @@ void generalizedProblem::setPeriodicity(){ } this->triangulation.add_periodicity(periodicity_vector); - std::cout << "periodic facepairs: " << periodicity_vector.size() << std::endl; + this->pcout << "periodic facepairs: " << periodicity_vector.size() << std::endl; } // Set constraints to enforce periodic boundary conditions diff --git a/version_changes.txt b/version_changes.txt index ba7b57016..0f53fc58d 100644 --- a/version_changes.txt +++ b/version_changes.txt @@ -9,7 +9,9 @@ Added functionality: the value of that variable to zero at the origin. - Added more options for controlling the spacing between outputs. Users can now choose between equal spacing, log spacing, and a specified number of outputs per decade or they can input a list of time steps at which to output. +- Added the ability to control how often the progress of a run prints to the screen. Set “skipPrintSteps” in parameters.h. - Ability to change the output file format between “.vtu” and “.vtk”. Used in the application allenCahn_pfield. +- When mesh adaptivity is turned on, the mesh will adapt before the first time step. Changes to the pre-built applications: - New application: singlePrecipitateKKS is a 3D simulation of 1/8 of a precipitate. Governing equations are similar to precipitateEvolution @@ -22,6 +24,8 @@ Changes to the pre-built applications: - Moduli changed in precipitateEvolution so that the evolution is dominated by the misfit, not the interfacial energy. Bug fixes: +- Fixed constraint bug for purely elliptic problems. The solution in the domain was correct, but the boundary value for Dirichlet BCs was + double what it was supposed to be. - Removed unnecessary LAPACK check in the CMakeLists.txt files. Other changes: @@ -49,7 +53,7 @@ Version 0.9.3: Patch to version 0.9.2, released in July 2016. Most changes are specific to coupled Cahn-Hilliard-Allen-Cahn-Mechanics calculations. Bug fixes: -- Made necessary fixes for compatability Deal.II v8.4. +- Made necessary fixes for compatibility Deal.II v8.4. Added functionality: - Support for concentration-dependent stress-free transformation strains for coupled Cahn-Hilliard-Allen-Cahn-Mechanics calculations. From 8596756f41636851831c5a4e3f5e63f3e4a905e9 Mon Sep 17 00:00:00 2001 From: Stephen DeWitt Date: Tue, 24 Jan 2017 12:39:29 -0500 Subject: [PATCH 05/36] added skipPrintSteps to the parameters files, updated the user guide --- applications/CHAC_anisotropy/parameters.h | 2 + .../CHAC_anisotropyRegularized/parameters.h | 2 + applications/CHiMaD_benchmark1a/parameters.h | 3 + .../CHiMaD_benchmark1c/CMakeLists.txt | 34 ---- applications/CHiMaD_benchmark1c/ICs_and_BCs.h | 86 ---------- applications/CHiMaD_benchmark1c/equations.h | 159 ------------------ applications/CHiMaD_benchmark1c/main.cc | 51 ------ applications/CHiMaD_benchmark1c/parameters.h | 86 ---------- applications/allenCahn/parameters.h | 3 + applications/allenCahn_pfield/parameters.h | 3 + applications/cahnHilliard/parameters.h | 3 + .../cahnHilliardWithAdaptivity/parameters.h | 2 + .../coupledCahnHilliardAllenCahn/parameters.h | 2 + applications/fickianDiffusion/parameters.h | 2 + applications/grainGrowth/parameters.h | 2 + .../precipitateEvolution/ICs_and_BCs.h | 6 +- .../precipitateEvolution/parameters.h | 3 + .../parameters.h | 3 + .../singlePrecipitateKKS/parameters.h | 2 +- .../prismspf_user_guide.pdf | Bin 988403 -> 991481 bytes .../prismspf_user_guide.tex | 14 +- prismspf_user_guide.pdf | Bin 988403 -> 991481 bytes version_changes.txt | 9 +- 23 files changed, 50 insertions(+), 427 deletions(-) delete mode 100644 applications/CHiMaD_benchmark1c/CMakeLists.txt delete mode 100644 applications/CHiMaD_benchmark1c/ICs_and_BCs.h delete mode 100644 applications/CHiMaD_benchmark1c/equations.h delete mode 100644 applications/CHiMaD_benchmark1c/main.cc delete mode 100644 applications/CHiMaD_benchmark1c/parameters.h diff --git a/applications/CHAC_anisotropy/parameters.h b/applications/CHAC_anisotropy/parameters.h index 68cf6ae00..b0bc9dc5b 100644 --- a/applications/CHAC_anisotropy/parameters.h +++ b/applications/CHAC_anisotropy/parameters.h @@ -56,6 +56,8 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/applications/CHAC_anisotropyRegularized/parameters.h b/applications/CHAC_anisotropyRegularized/parameters.h index c6ccfb9fe..58ebfdc59 100644 --- a/applications/CHAC_anisotropyRegularized/parameters.h +++ b/applications/CHAC_anisotropyRegularized/parameters.h @@ -56,6 +56,8 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/applications/CHiMaD_benchmark1a/parameters.h b/applications/CHiMaD_benchmark1a/parameters.h index 78284c645..8158f8ee4 100644 --- a/applications/CHiMaD_benchmark1a/parameters.h +++ b/applications/CHiMaD_benchmark1a/parameters.h @@ -56,6 +56,9 @@ // outputCondition is "LIST" #define outputList {0,200,1000,2000,4000,20000,40000,100000,200000,400000,600000,2000000} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 + // ================================================================================= // Set the flag determining if the total free energy is calculated for each output // ================================================================================= diff --git a/applications/CHiMaD_benchmark1c/CMakeLists.txt b/applications/CHiMaD_benchmark1c/CMakeLists.txt deleted file mode 100644 index 8eecee41b..000000000 --- a/applications/CHiMaD_benchmark1c/CMakeLists.txt +++ /dev/null @@ -1,34 +0,0 @@ -## -# CMake script for the phaseField applications: -## - - -# Set the name of the project and target: -SET(TARGET "main") - -# Declare all source files the target consists of: -SET(TARGET_SRC - ${TARGET}.cc - # You can specify additional files here! - ) - -# Usually, you will not need to modify anything beyond this point... - -CMAKE_MINIMUM_REQUIRED(VERSION 2.8.8) - -FIND_PACKAGE(deal.II 8.0 QUIET - HINTS ${deal.II_DIR} ${DEAL_II_DIR} ../ ../../ $ENV{DEAL_II_DIR} - ) -IF(NOT ${deal.II_FOUND}) - MESSAGE(FATAL_ERROR "\n" - "*** Could not locate deal.II. ***\n\n" - "You may want to either pass a flag -DDEAL_II_DIR=/path/to/deal.II to cmake\n" - "or set an environment variable \"DEAL_II_DIR\" that contains this path." - ) -ENDIF() - -DEAL_II_INITIALIZE_CACHED_VARIABLES() -#set(DEAL_II_CXX_FLAGS_DEBUG "${DEAL_II_CXX_FLAGS_DEBUG} -Wno-maybe-uninitialized -Wno-deprecated-declarations -Wno-comment -Wno-unused-parameter -Wno-unused-variable -Wno-unused-but-set-variable") -#set(DEAL_II_CXX_FLAGS_RELEASE "${DEAL_II_CXX_FLAGS_DEBUG} -Wno-maybe-uninitialized -Wno-deprecated-declarations -Wno-comment -Wno-unused-parameter -Wno-unused-variable -Wno-unused-but-set-variable") -PROJECT(${TARGET}) -DEAL_II_INVOKE_AUTOPILOT() diff --git a/applications/CHiMaD_benchmark1c/ICs_and_BCs.h b/applications/CHiMaD_benchmark1c/ICs_and_BCs.h deleted file mode 100644 index 779a46b42..000000000 --- a/applications/CHiMaD_benchmark1c/ICs_and_BCs.h +++ /dev/null @@ -1,86 +0,0 @@ -template -class InitialCondition : public Function -{ -public: - unsigned int index; - Vector values; - InitialCondition (const unsigned int _index) : Function(1), index(_index) { - std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1); - } - double value (const Point &p, const unsigned int component = 0) const - { - double scalar_IC = 0; - // ===================================================================== - // ENTER THE INITIAL CONDITIONS HERE FOR SCALAR FIELDS - // ===================================================================== - // Enter the function describing conditions for the fields at point "p". - // Use "if" statements to set the initial condition for each variable - // according to its variable index. - - if (index == 0){ - double epsilon=0.01; - double c0 = 0.5; - double dx=spanX/((double) subdivisionsX)/std::pow(2.0,refineFactor); - scalar_IC = c0+epsilon*(std::cos(0.105*p[0])*std::cos(0.11*p[1])+ - std::pow(std::cos(0.13*p[0])*std::cos(0.087*p[1]),2.0)+ - std::cos(0.025*p[0]-0.15*p[1])*std::cos(0.07*p[0]-0.02*p[1])); - - } - else { - scalar_IC = 0.0; - } - - // ===================================================================== - return scalar_IC; - } -}; - -template -class InitialConditionVec : public Function -{ -public: - unsigned int index; - //Vector values; - InitialConditionVec (const unsigned int _index) : Function(dim), index(_index) { - std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1); - } - void vector_value (const Point &p,Vector &vector_IC) const - { - // ===================================================================== - // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS - // ===================================================================== - // Enter the function describing conditions for the fields at point "p". - // Use "if" statements to set the initial condition for each variable - // according to its variable index. - - - // ===================================================================== - } -}; - - -template -void generalizedProblem::setBCs(){ - - // ===================================================================== - // ENTER THE BOUNDARY CONDITIONS HERE - // ===================================================================== - // This function sets the BCs for the problem variables - // The function "inputBCs" should be called for each component of - // each variable and should be in numerical order. Four input arguments - // set the same BC on the entire boundary. Two plus two times the - // number of dimensions inputs sets separate BCs on each face of the domain. - // Inputs to "inputBCs": - // First input: variable number - // Second input: component number - // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC") - // Fourth input: BC value (ignored unless the BC type is "DIRICHLET") - // Odd inputs after the third: BC type - // Even inputs after the third: BC value - // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction - // two for the minimum of the second direction, etc. - - inputBCs(0,0,"ZERO_DERIVATIVE",0); - inputBCs(1,0,"ZERO_DERIVATIVE",0); - -} diff --git a/applications/CHiMaD_benchmark1c/equations.h b/applications/CHiMaD_benchmark1c/equations.h deleted file mode 100644 index 754ed4c99..000000000 --- a/applications/CHiMaD_benchmark1c/equations.h +++ /dev/null @@ -1,159 +0,0 @@ -// List of variables and residual equations for the Cahn-Hilliard example application - -// ================================================================================= -// Define the variables in the model -// ================================================================================= -// The number of variables -#define num_var 2 - -// The names of the variables, whether they are scalars or vectors and whether the -// governing eqn for the variable is parabolic or elliptic -#define variable_name {"c", "mu"} -#define variable_type {"SCALAR", "SCALAR"} -#define variable_eq_type {"PARABOLIC", "PARABOLIC"} - -// Flags for whether the value, gradient, and Hessian are needed in the residual eqns -#define need_val {true, true} -#define need_grad {true, true} -#define need_hess {false, false} - -// Flags for whether the residual equation has a term multiplied by the test function -// (need_val_residual) and/or the gradient of the test function (need_grad_residual) -#define need_val_residual {true, true} -#define need_grad_residual {true, true} - -// ================================================================================= -// Define the model parameters and the residual equations -// ================================================================================= -// Parameters in the residual equations and expressions for the residual equations -// can be set here. For simple cases, the entire residual equation can be written -// here. For more complex cases with loops or conditional statements, residual -// equations (or parts of residual equations) can be written below in "residualRHS". - -// Mobility -#define McV 5.0 - -// Gradient energy coefficient -#define KcV 2.0 - -// The free energy and its derivative -#define fV (5.0*(c-0.3)*(c-0.3)*(c-0.7)*(c-0.7)) -#define fcV (5.0*(2.0*(c-0.3)*(c-0.7)*(c-0.7)+2.0*(c-0.3)*(c-0.3)*(c-0.7))) - -// Residual equations -#define rmuV (fcV) -#define rmuxV (constV(KcV)*cx) -#define rcV (c) -#define rcxV (constV(-McV*timeStep)*mux) - - -// ================================================================================= -// residualRHS -// ================================================================================= -// This function calculates the residual equations for each variable. It takes -// "modelVariablesList" as an input, which is a list of the value and derivatives of -// each of the variables at a specific quadrature point. The (x,y,z) location of -// that quadrature point is given by "q_point_loc". The function outputs -// "modelResidualsList", a list of the value and gradient terms of the residual for -// each residual equation. The index for each variable in these lists corresponds to -// the order it is defined at the top of this file (starting at 0). -template -void generalizedProblem::residualRHS(const std::vector > & modelVariablesList, - std::vector > & modelResidualsList, - dealii::Point > q_point_loc) const { - -// The concentration and its derivatives (names here should match those in the macros above) -scalarvalueType c = modelVariablesList[0].scalarValue; -scalargradType cx = modelVariablesList[0].scalarGrad; - -// The chemical potential and its derivatives (names here should match those in the macros above) -scalarvalueType mu = modelVariablesList[1].scalarValue; -scalargradType mux = modelVariablesList[1].scalarGrad; - -// Residuals for the equation to evolve the concentration (names here should match those in the macros above) -modelResidualsList[0].scalarValueResidual = rcV; -modelResidualsList[0].scalarGradResidual = rcxV; - -// Residuals for the equation to evolve the chemical potential (names here should match those in the macros above) -modelResidualsList[1].scalarValueResidual = rmuV; -modelResidualsList[1].scalarGradResidual = rmuxV; - -} - -// ================================================================================= -// residualLHS (needed only if at least one equation is elliptic) -// ================================================================================= -// This function calculates the residual equations for the iterative solver for -// elliptic equations.for each variable. It takes "modelVariablesList" as an input, -// which is a list of the value and derivatives of each of the variables at a -// specific quadrature point. The (x,y,z) location of that quadrature point is given -// by "q_point_loc". The function outputs "modelRes", the value and gradient terms of -// for the left-hand-side of the residual equation for the iterative solver. The -// index for each variable in these lists corresponds to the order it is defined at -// the top of this file (starting at 0), not counting variables that have -// "need_val_LHS", "need_grad_LHS", and "need_hess_LHS" all set to "false". If there -// are multiple elliptic equations, conditional statements should be used to ensure -// that the correct residual is being submitted. The index of the field being solved -// can be accessed by "this->currentFieldIndex". -template -void generalizedProblem::residualLHS(const std::vector > & modelVarList, - modelResidual & modelRes, - dealii::Point > q_point_loc) const { -} - -// ================================================================================= -// energyDensity (needed only if calcEnergy == true) -// ================================================================================= -// This function integrates the free energy density across the computational domain. -// It takes "modelVariablesList" as an input, which is a list of the value and -// derivatives of each of the variables at a specific quadrature point. It also -// takes the mapped quadrature weight, "JxW_value", as an input. The (x,y,z) location -// of the quadrature point is given by "q_point_loc". The weighted value of the -// energy density is added to "energy" variable and the components of the energy -// density are added to the "energy_components" variable (index 0: chemical energy, -// index 1: gradient energy, index 2: elastic energy). -template -void generalizedProblem::energyDensity(const std::vector > & modelVariablesList, - const dealii::VectorizedArray & JxW_value, - dealii::Point > q_point_loc) { -scalarvalueType total_energy_density = constV(0.0); - -// The concentration and its derivatives (names here should match those in the macros above) -scalarvalueType c = modelVariablesList[0].scalarValue; -scalargradType cx = modelVariablesList[0].scalarGrad; - -// The chemical potential and its derivatives (names here should match those in the macros above) -scalarvalueType mu = modelVariablesList[1].scalarValue; -scalargradType mux = modelVariablesList[1].scalarGrad; - -// The homogenous free energy -scalarvalueType f_chem = fV; - -// The gradient free energy -scalarvalueType f_grad = constV(0.0); - -for (int i=0; i 1.0e-10){ - this->energy+=total_energy_density[i]*JxW_value[i]; - this->energy_components[0]+= f_chem[i]*JxW_value[i]; - this->energy_components[1]+= f_grad[i]*JxW_value[i]; - } -} -assembler_lock.release (); -} - - - - diff --git a/applications/CHiMaD_benchmark1c/main.cc b/applications/CHiMaD_benchmark1c/main.cc deleted file mode 100644 index 2b20cf223..000000000 --- a/applications/CHiMaD_benchmark1c/main.cc +++ /dev/null @@ -1,51 +0,0 @@ -// Cahn-Hilliard with adaptivity example application - -// Header files -#include "../../include/dealIIheaders.h" - -#include "parameters.h" -#include "../../src/models/coupled/generalized_model.h" -#include "equations.h" -#include "ICs_and_BCs.h" -#include "../../src/models/coupled/generalized_model_functions.h" - -//main -int main (int argc, char **argv) -{ - Utilities::MPI::MPI_InitFinalize mpi_initialization(argc, argv,numbers::invalid_unsigned_int); - try - { - deallog.depth_console(0); - generalizedProblem problem; - - problem.setBCs(); - problem.buildFields(); - problem.init (); - problem.solve(); - } - catch (std::exception &exc) - { - std::cerr << std::endl << std::endl - << "----------------------------------------------------" - << std::endl; - std::cerr << "Exception on processing: " << std::endl - << exc.what() << std::endl - << "Aborting!" << std::endl - << "----------------------------------------------------" - << std::endl; - return 1; - } - catch (...) - { - std::cerr << std::endl << std::endl - << "----------------------------------------------------" - << std::endl; - std::cerr << "Unknown exception!" << std::endl - << "Aborting!" << std::endl - << "----------------------------------------------------" - << std::endl; - return 1; - } - - return 0; -} diff --git a/applications/CHiMaD_benchmark1c/parameters.h b/applications/CHiMaD_benchmark1c/parameters.h deleted file mode 100644 index 3581e6c83..000000000 --- a/applications/CHiMaD_benchmark1c/parameters.h +++ /dev/null @@ -1,86 +0,0 @@ -// Parameter list for the Cahn-Hilliard with adaptivity example application -// All strictly numerical parameters should be set in this file - -// ================================================================================= -// Set the number of dimensions (1, 2, or 3 for a 1D, 2D, or 3D calculation) -// ================================================================================= -#define problemDIM 2 - -// ================================================================================= -// Set the length of the domain in all three dimensions -// ================================================================================= -// Each axes spans from zero to the specified length -#define spanX 200.0 -#define spanY 200.0 -#define spanZ 100.0 - -#define t_domain true - -// ================================================================================= -// Set the element parameters -// ================================================================================= -// The number of elements in each direction is 2^(refineFactor) * subdivisions -// For optimal performance, use refineFactor primarily to determine the element size -#define subdivisionsX 1 -#define subdivisionsY 1 -#define subdivisionsZ 1 -#define refineFactor 4 - -// Set the polynomial degree of the element (suggested values: 1 or 2) -#define finiteElementDegree 1 - -// ================================================================================= -// Set the adaptive mesh refinement parameters -// ================================================================================= -// Set the flag determining if adaptive meshing is activated -#define hAdaptivity true - -// Set the maximum and minimum level of refinement -#define maxRefinementLevel (refineFactor) -#define minRefinementLevel (0) - -// Set the fields used to determine the refinement. Fields determined by the order -// declared in "equations.h", starting at zero -#define refineCriterionFields {0} - -// Set the maximum and minimum value of the fields where the mesh should be refined -#define refineWindowMax {0.99} -#define refineWindowMin {0.01} - -// Set the number of time steps between remeshing operations -#define skipRemeshingSteps 1000 - -// ================================================================================= -// Set the time step parameters -// ================================================================================= -// The size of the time step -#define timeStep 2.0e-3 - -// The simulation ends when either timeFinal is reached or the number of time steps -// equals timeIncrements -#define timeFinal 10000.0 -#define timeIncrements 2000000 - -// ================================================================================= -// Set the output parameters -// ================================================================================= -// Each field in the problem will be output is writeOutput is set to "true" -#define writeOutput true - -// Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE", -// or "LIST") -#define outputCondition "LIST" - -// Number of times the program outputs the fields (total number for "EQUAL_SPACING" -// and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST") -#define numOutputs 10 - -// User-defined list of time steps where the program should output. Only used if -// outputCondition is "LIST" -#define outputList {0,200,1000,2000,4000,20000,40000,100000,200000,400000,600000,2000000} - -// ================================================================================= -// Set the flag determining if the total free energy is calculated for each output -// ================================================================================= -#define calcEnergy true - diff --git a/applications/allenCahn/parameters.h b/applications/allenCahn/parameters.h index d74bc762b..5a90427b6 100644 --- a/applications/allenCahn/parameters.h +++ b/applications/allenCahn/parameters.h @@ -56,6 +56,9 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 + // ================================================================================= // Set the flag determining if the total free energy is calculated for each output // ================================================================================= diff --git a/applications/allenCahn_pfield/parameters.h b/applications/allenCahn_pfield/parameters.h index e7b037c3f..2d6b2f342 100644 --- a/applications/allenCahn_pfield/parameters.h +++ b/applications/allenCahn_pfield/parameters.h @@ -60,6 +60,9 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 + // ================================================================================= // Set the flag determining if the total free energy is calculated for each output // ================================================================================= diff --git a/applications/cahnHilliard/parameters.h b/applications/cahnHilliard/parameters.h index 2b282e08e..ac95a9703 100644 --- a/applications/cahnHilliard/parameters.h +++ b/applications/cahnHilliard/parameters.h @@ -56,6 +56,9 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 + // ================================================================================= // Set the flag determining if the total free energy is calculated for each output // ================================================================================= diff --git a/applications/cahnHilliardWithAdaptivity/parameters.h b/applications/cahnHilliardWithAdaptivity/parameters.h index 61c080a46..191ddb976 100644 --- a/applications/cahnHilliardWithAdaptivity/parameters.h +++ b/applications/cahnHilliardWithAdaptivity/parameters.h @@ -78,6 +78,8 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/applications/coupledCahnHilliardAllenCahn/parameters.h b/applications/coupledCahnHilliardAllenCahn/parameters.h index f33af9925..a18095f3b 100644 --- a/applications/coupledCahnHilliardAllenCahn/parameters.h +++ b/applications/coupledCahnHilliardAllenCahn/parameters.h @@ -56,6 +56,8 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/applications/fickianDiffusion/parameters.h b/applications/fickianDiffusion/parameters.h index e2b5988d3..111b72043 100644 --- a/applications/fickianDiffusion/parameters.h +++ b/applications/fickianDiffusion/parameters.h @@ -56,6 +56,8 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/applications/grainGrowth/parameters.h b/applications/grainGrowth/parameters.h index 0f7725ec9..9b593385a 100644 --- a/applications/grainGrowth/parameters.h +++ b/applications/grainGrowth/parameters.h @@ -81,6 +81,8 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/applications/precipitateEvolution/ICs_and_BCs.h b/applications/precipitateEvolution/ICs_and_BCs.h index fb60b05b0..3e5fc1c03 100644 --- a/applications/precipitateEvolution/ICs_and_BCs.h +++ b/applications/precipitateEvolution/ICs_and_BCs.h @@ -116,10 +116,8 @@ void generalizedProblem::setBCs(){ inputBCs(3,0,"ZERO_DERIVATIVE",0); -// inputBCs(4,0,"DIRICHLET",0.0); -// inputBCs(4,1,"DIRICHLET",0.0); - inputBCs(4,0,"DIRICHLET",0.1,"DIRICHLET",0.0,"ZERO_DERIVATIVE",0.0,"ZERO_DERIVATIVE",0.0); - inputBCs(4,1,"ZERO_DERIVATIVE",0.0); + inputBCs(4,0,"DIRICHLET",0.0); + inputBCs(4,1,"DIRICHLET",0.0); if (dim == 3){ inputBCs(4,2,"DIRICHLET",0.0); } diff --git a/applications/precipitateEvolution/parameters.h b/applications/precipitateEvolution/parameters.h index d745a7e91..b7895f124 100644 --- a/applications/precipitateEvolution/parameters.h +++ b/applications/precipitateEvolution/parameters.h @@ -90,6 +90,9 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 + // ================================================================================= // Set the flag determining if the total free energy is calculated for each output // ================================================================================= diff --git a/applications/precipitateEvolution_pfunction/parameters.h b/applications/precipitateEvolution_pfunction/parameters.h index 4275bb190..f0c001edc 100644 --- a/applications/precipitateEvolution_pfunction/parameters.h +++ b/applications/precipitateEvolution_pfunction/parameters.h @@ -90,6 +90,9 @@ // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 + // ================================================================================= // Set the flag determining if the total free energy is calculated for each output // ================================================================================= diff --git a/applications/singlePrecipitateKKS/parameters.h b/applications/singlePrecipitateKKS/parameters.h index 46af760be..3b77d5aa9 100644 --- a/applications/singlePrecipitateKKS/parameters.h +++ b/applications/singlePrecipitateKKS/parameters.h @@ -94,7 +94,7 @@ #define outputList {} // Status is printed to the screen every skipPrintSteps -#define skipPrintSteps 1 //1000 +#define skipPrintSteps 1000 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output diff --git a/prisms_pf_user_guide_files/prismspf_user_guide.pdf b/prisms_pf_user_guide_files/prismspf_user_guide.pdf index 61280e1f995fecc6f68b371b8418f14ae005f7c8..080cc795160924879dfb683a52f978721d47d11b 100644 GIT binary patch delta 155112 zcmZs>WmFwY&@K!ccXxMpcXxLW?(P=YxVvp6Xn^2u!GgO(aCdiygv&YSUEg=tdheg< z>7MTDXS$!Nu9~U4a>18g!6ZW<-nv}p?~IE$_J`%>v^EYoVqLTvR*7VG7O#}rt6g#F z7+aMy{_0#|G|CKw?d|gwC}dEo4oxNuZ#3K?qwW_d-gMV7UDEC7HrNc`Yhl4(nJmgU zvoE8ZMNwhS1X>-7XUa!ooUYH{uAK2MKB4A_j)H&MzCuh%1-UZv(G2+lC2b~P5y&HU z(3b2-c9Po{9PL-5AKI#a@GeZ2uGBP22Z&~tlP9`+-nqBVR?_KKo2PsK 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https://www.dealii.org/download.html, which also has instructions. The deal.II installation process depends on your operating system. PRISMS-PF has been tested with Deal.II versions 8.3.0 through 8.4.1 (and the version 8.5 pre-release as of 1/16/2017). We recommend using deal.II 8.4.1, if possible. \subsection{Installing deal.II for Mac OS X} -A binary package for version 8.4.1 is available at https://www.dealii.org/download.html. If needed, binary packages for other versions are available at https://github.com/dealii/dealii/releases. The binary package includes all the libraries that you need (excluding CMake). To install deal.II open the .dmg file and drag ``deal.II.app'' into your Applications folder. Then, open ``deal.II.app'', which will open a Terminal window and set the necessary environment variables. +A binary package for version 8.4.1 is available at https://www.dealii.org/download.html. If needed, binary packages for other versions are available at https://github.com/dealii/dealii/releases. The binary package includes all the libraries that you need (excluding CMake). To install deal.II open the .dmg file and drag ``deal.II.app'' into your Applications folder. Then, open ``deal.II.app'', which will open a Terminal window and set the necessary environment variables. You may need to modify your security settings so that your operating system will let you open the application (in System Preferences, select Security $\&$ Privacy, then under the general tab choose to allow apps downloaded from anywhere; don't click ``Open deal.II.app anyway'', we have found that doing so doesn't actually launch deal.II.app). + +In some cases, deal.II.app will not open, possibly freezing at the ``Verifying...'' stage. If this happens, right click on it and select ``Show Package Contents''. Then go to ``/Contents/Resources/bin/'' and launch ``dealii-terminal''. This should launch the Terminal window that sets the environment variables. We have found that for some older versions of Mac OS are incompatible with deal.II version 8.4.1 (due to the version of the Clang compiler that is installed by default). In those cases we recommend downloading this version 8.3.0 package: \\ https://github.com/dealii/dealii/releases/download/v8.3.0/dealii-8.3.0.nocxx14.dmg. @@ -106,13 +108,13 @@ \subsection{Installing deal.II for Linux} Below we list instructions for installing deal.II and its prerequisites both manually and using candi, an automatic deal.II installation script. For now, we recomend the traditional route, because we haven't been able to get candi to consistently work. \subsubsection{Traditional Installation (Recommended)} -Before building deal.II, you will need to install two libraries, MPI and p4est. Many computing clusters already have these libraries installed. MPI libraries (such as MPICH2) are often available through package managers (e.g. yum, apt, pkg$\_$add, port, brew), installing it using your package manager of choice is likely the simplest option. If not, you can find binaries and the source code at http://www.mpich.org/downloads/, as well as instructions for installation. The p4est library may also be available through your package manager. If not, you can download the latest release tarball at http://www.p4est.org/. To install, unzip the archive, move to the p4est root directory and enter the following commands at the command line: +Before building deal.II, you will need to install two libraries, MPI and p4est. Make sure you have both libraries installed before installing deal.II, or else you will have to reinstall deal.II! Many computing clusters already have these libraries installed. MPI libraries (such as MPICH2) are often available through package managers (e.g. yum, apt, pkg$\_$add, port, brew), installing it using your package manager of choice is likely the simplest option. If not, you can find binaries and the source code at http://www.mpich.org/downloads/, as well as instructions for installation. The p4est library may also be available through your package manager. If not, you can download the latest release tarball at http://www.p4est.org/. To install, unzip the archive, move to the p4est root directory and enter the following commands at the command line: \begin{lstlisting} $ ./configure --enable-mpi; make; make install \end{lstlisting} Users have found that this approach works better than the setup script ``p4est-setup.sh'' that is on the deal.ii website. More detailed installation instructions can be found in the ``INSTALL'' and ``README'' files in the p4est root directory. -%With MPI and p4est installed, you are ready to install deal.II. Open the archive you downloaded from the deal.II website. From the root deal.II directory enter the following commands: +With MPI and p4est installed, you are ready to install deal.II. Open the archive you downloaded from the deal.II website. From the root deal.II directory enter the following commands: \begin{lstlisting} $ mkdir build $ cd build @@ -150,6 +152,8 @@ \subsection{The Example Applications} \item CHAC\_anisotropyRegularized: Like CHAC\_anisotropy, but with a regularization term to permit strongly anisotropic interfacial energy. (2D) \item fickianDiffusion: An implementation of the diffusion equation with a time-dependent source term. (2D) \item mechanics: An implementation of linear elasticity for a material in uniaxial tension. (3D) +\item CHiMaD\_benchmark1a: An implementation of the CHiMaD spinodal decomposition benchmark problem. (2D) +\item CHiMaD\_benchmark2a: An implementation of the CHiMaD Ostwald ripening benchmark problem. (2D) \item eshelbyInclusion: An implementation of linear elasticity for a spherical inclusion. (3D) \item grainGrowth: An implementation of ten coupled Allen-Cahn equations simulating grain growth in two dimensions. (2D) \item precipiateEvolution: An implementation of the coupled Cahn-Hilliard/Allen-Cahn/Linear Elasticity equations often used in phase field simulation of precipitate evolution. (2D) @@ -392,6 +396,8 @@ \subsection{parameters.h} \label{parameters} // outputCondition is "LIST" #define outputList {} +// Status is printed to the screen every skipPrintSteps +#define skipPrintSteps 10 // ================================================================================= // Set the flag determining if the total free energy is calculated for each output @@ -412,7 +418,7 @@ \subsection{parameters.h} \label{parameters} \begin{equation} 10^{n/numOutputs \log(totalIncrements)} \end{equation} -rounded to the nearest integer, where \emph{n} is the output number, and \emph{totalIncrements} is the total number of time steps. For ``N\_PER\_DECADE'', the program will output \emph{numOutput} times for each power of 10 after outputting the initial conditions. For example, if \emph{numOutput} is 1, the program will output at every power of 10 (i.e. 1, 10, 100, 1000, ...). If \emph{numOutput} is 10, the program will output ten times for every power of 10 (i.e. 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 20, 30, 40, 50, 60, 70, 80, 90, 100, 200, ...). For ``LIST'', the user supplies a list of time steps where the program should output using the parameter \emph{outputList}. \emph{outputList} should be a bracketed, comma-separated list and is ignored for any type of output spacing other than ``LIST''. +rounded to the nearest integer, where \emph{n} is the output number, and \emph{totalIncrements} is the total number of time steps. For ``N\_PER\_DECADE'', the program will output \emph{numOutput} times for each power of 10 after outputting the initial conditions. For example, if \emph{numOutput} is 1, the program will output at every power of 10 (i.e. 1, 10, 100, 1000, ...). If \emph{numOutput} is 10, the program will output ten times for every power of 10 (i.e. 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 20, 30, 40, 50, 60, 70, 80, 90, 100, 200, ...). For ``LIST'', the user supplies a list of time steps where the program should output using the parameter \emph{outputList}. \emph{outputList} should be a bracketed, comma-separated list and is ignored for any type of output spacing other than ``LIST''. The final parameter in this section, \emph{skipPrintSteps}, controls how often the status of the simulation prints to the screen. Setting \emph{skipPrintSteps} to 1 will cause the simulation to print an update every time step; setting it to two will cause the simulation to print out every other time step, at 10 it will print every 10 time steps, etc. In the sixth and final section of the parameters file, the user sets a flag determining if the integrated free energy should be calculated whenever the code outputs the results. If \emph{calcEnergy} is ``true'', the total free energy will be written to a file names ``freeEnergy.txt.'' 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precipitateEvolution_pfunction uses the PFunction capability of PRISMS IntegrationTools to load parameters (both and functions) into the code. +- New applications: CHiMaD_benchmark1a and CHiMaD_benchmark2a are phase field benchmark problems for spinodal decomposition and Ostwald + ripening, respectively. More about the benchmark problems can be found at: https://pages.nist.gov/chimad-phase-field/ - Added formulation files for the CHAC_anisotropy and CHAC_anisotropyRegularized applications. - Boundary conditions for grainGrowth changed to periodic. +- Boundary condition for the mechanics application changed for higher deformation. - Moduli changed in precipitateEvolution so that the evolution is dominated by the misfit, not the interfacial energy. Bug fixes: @@ -30,10 +33,12 @@ Bug fixes: Other changes: - Installation instructions updated, both in the README and in the user guide. +- The “init” function was split into an “init” function and a “reinit” function. The latter is used for reinitializing the system for + adaptive meshing. Known issues: -- For some compilers (including the Intel compilers on the Stampede cluster), errors are generated because we initialize some vectors with - C-style arrays. This will be fixed in the near future. +- For some compilers that lack full C++11 support (including the Intel compilers on the Stampede cluster), errors are generated because + we initialize some vectors with C-style arrays. This will be fixed in the near future. ==================== Version 1.0: From 61d71fe8167a07a64d65cf295328163e2ddfad0a Mon Sep 17 00:00:00 2001 From: Stephen DeWitt Date: Tue, 24 Jan 2017 12:46:09 -0500 Subject: [PATCH 06/36] fixed warning for unit tests. Unit and regression tests pass. --- tests/regression_tests/regress_test_results.txt | 4 ++++ tests/unit_tests/test_setRigidBodyModeConstraints.h | 2 +- version_changes.txt | 1 + 3 files changed, 6 insertions(+), 1 deletion(-) diff --git a/tests/regression_tests/regress_test_results.txt b/tests/regression_tests/regress_test_results.txt index 16fa9fc6f..e69e91f3a 100644 --- a/tests/regression_tests/regress_test_results.txt +++ b/tests/regression_tests/regress_test_results.txt @@ -127,3 +127,7 @@ Results of the 3D regression test (2017-01-16 14:59): Difference from reference: 3.46944695195e-17 Result: Pass +Results of the 3D regression test (2017-01-24 12:45): +Difference from reference: 3.46944695195e-17 +Result: Pass + diff --git a/tests/unit_tests/test_setRigidBodyModeConstraints.h b/tests/unit_tests/test_setRigidBodyModeConstraints.h index d199334cb..079d71c68 100644 --- a/tests/unit_tests/test_setRigidBodyModeConstraints.h +++ b/tests/unit_tests/test_setRigidBodyModeConstraints.h @@ -38,7 +38,7 @@ bool unitTest::test_setRigidBodyModeConstraints(std::vector rigidBod test.call_setRigidBodyModeConstraints(rigidBodyModeComponents,num_constraints); // Add up the total number of constraints across all processors - int global_num_constraints = rigidBodyModeComponents.size(); + unsigned int global_num_constraints = rigidBodyModeComponents.size(); Utilities::MPI::sum(global_num_constraints,MPI_COMM_WORLD); // Check if calculated value equals expected value diff --git a/version_changes.txt b/version_changes.txt index cd1e149ec..a34a14143 100644 --- a/version_changes.txt +++ b/version_changes.txt @@ -35,6 +35,7 @@ Other changes: - Installation instructions updated, both in the README and in the user guide. - The “init” function was split into an “init” function and a “reinit” function. The latter is used for reinitializing the system for adaptive meshing. +- Removed call of “norm_sqr”, which no longer exists in deal.II v8.5. 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| 14 +- html/search/files_8.js | 14 +- html/search/files_a.js | 12 +- html/search/files_b.js | 4 +- html/search/functions_1.js | 4 - html/search/functions_3.js | 2 +- html/search/functions_5.js | 5 +- html/search/functions_6.js | 8 +- html/search/functions_7.js | 13 +- html/search/functions_8.js | 9 +- html/search/functions_9.js | 22 +- html/search/functions_a.js | 11 +- html/search/functions_b.js | 11 +- html/search/functions_c.js | 12 +- html/search/functions_d.js | 7 +- html/search/functions_e.html | 2 +- html/search/functions_e.js | 58 +- html/search/namespaces_0.js | 1 + html/search/searchdata.js | 10 +- html/search/variables_0.js | 3 + html/search/variables_1.js | 3 + html/search/variables_10.js | 19 +- html/search/variables_11.html | 2 +- html/search/variables_11.js | 29 +- html/search/variables_2.js | 8 +- html/search/variables_3.js | 2 +- html/search/variables_5.js | 3 +- html/search/variables_7.js | 2 +- html/search/variables_8.js | 6 +- html/search/variables_9.js | 2 +- html/search/variables_c.js | 10 +- html/search/variables_d.js | 6 +- html/search/variables_e.js | 20 +- html/search/variables_f.js | 20 +- ...ecipitate_k_k_s_2_i_cs__and___b_cs_8h.html | 216 ++ ...te_k_k_s_2_i_cs__and___b_cs_8h_source.html | 252 ++ ...ingle_precipitate_k_k_s_2equations_8h.html | 731 +++++ ...recipitate_k_k_s_2equations_8h_source.html | 601 ++++ html/single_precipitate_k_k_s_2main_8cc.html | 142 + ...ngle_precipitate_k_k_s_2parameters_8h.html | 530 ++++ ...ecipitate_k_k_s_2parameters_8h_source.html | 212 ++ html/structnucleus.html | 4 +- 324 files changed, 20809 insertions(+), 4259 deletions(-) create mode 100644 html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h.html create mode 100644 html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h_source.html create mode 100644 html/_c_hi_ma_d__benchmark1a_2equations_8h.html create mode 100644 html/_c_hi_ma_d__benchmark1a_2equations_8h_source.html create mode 100644 html/_c_hi_ma_d__benchmark1a_2main_8cc.html create mode 100644 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100644 html/search/defines_14.js create mode 100644 html/search/defines_15.html create mode 100644 html/search/defines_15.js create mode 100644 html/search/defines_16.html create mode 100644 html/search/defines_16.js create mode 100644 html/search/defines_17.html create mode 100644 html/search/defines_17.js create mode 100644 html/single_precipitate_k_k_s_2_i_cs__and___b_cs_8h.html create mode 100644 html/single_precipitate_k_k_s_2_i_cs__and___b_cs_8h_source.html create mode 100644 html/single_precipitate_k_k_s_2equations_8h.html create mode 100644 html/single_precipitate_k_k_s_2equations_8h_source.html create mode 100644 html/single_precipitate_k_k_s_2main_8cc.html create mode 100644 html/single_precipitate_k_k_s_2parameters_8h.html create mode 100644 html/single_precipitate_k_k_s_2parameters_8h_source.html diff --git a/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2main_8cc.html b/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2main_8cc.html index 73f4cc0dd..16707ee6c 100644 --- a/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2main_8cc.html +++ b/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2main_8cc.html @@ -94,7 +94,7 @@

#include "../../../include/dealIIheaders.h"
#include "parameters.h"
-#include "residuals.h"
+#include "residuals.h"
#include "../../../src/models/diffusion/CH.h"
#include "ICs_and_BCs.h"
diff --git a/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2parameters_8h.html b/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2parameters_8h.html index f36545900..365473d8a 100644 --- a/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2parameters_8h.html +++ b/html/____deprecated_demos_2__cahn_hilliard_with_adaptivity_2parameters_8h.html @@ -123,7 +123,7 @@ - + @@ -188,7 +188,7 @@

Macro Definition Documentation

 
#define hAdaptivity   true
 
#define maxRefinementLevel   (refineFactor)
#define maxRefinementLevel   (refineFactor)
 
#define minRefinementLevel   (0)
 
- +
#define maxRefinementLevel   (refineFactor)#define maxRefinementLevel   (refineFactor)
diff --git a/html/____deprecated_demos_2__mechanics_with_adaptivity_2parameters_8h.html b/html/____deprecated_demos_2__mechanics_with_adaptivity_2parameters_8h.html index 771ef740c..0c0dd12b0 100644 --- a/html/____deprecated_demos_2__mechanics_with_adaptivity_2parameters_8h.html +++ b/html/____deprecated_demos_2__mechanics_with_adaptivity_2parameters_8h.html @@ -129,7 +129,7 @@   #define hAdaptivity   true   -#define maxRefinementLevel   (refineFactor+1) +#define maxRefinementLevel   (refineFactor+1)   #define minRefinementLevel   (0)   @@ -206,7 +206,7 @@

Macro Definition Documentation

- +
#define maxRefinementLevel   (refineFactor+1)#define maxRefinementLevel   (refineFactor+1)
diff --git a/html/_c_h_8h_source.html b/html/_c_h_8h_source.html index 14343dab2..545722960 100644 --- a/html/_c_h_8h_source.html +++ b/html/_c_h_8h_source.html @@ -163,8 +163,8 @@
71  scalargradType cx = cVals.get_gradient(q);
72 
73  //submit values
-
74  muVals.submit_value(rmuV,q); muVals.submit_gradient(rmuxV,q);
-
75  cVals.submit_value(rcV,q); cVals.submit_gradient(rcxV,q);
+
74  muVals.submit_value(rmuV,q); muVals.submit_gradient(rmuxV,q);
+
75  cVals.submit_value(rcV,q); cVals.submit_gradient(rcxV,q);
76  }
77 
78  //integrate values
@@ -176,29 +176,29 @@
84 #ifndef hAdaptivity
85 //adaptive refinement control
86 template <int dim>
-
87 void CahnHilliardProblem<dim>::adaptiveRefine(unsigned int currentIncrement){
+
87 void CahnHilliardProblem<dim>::adaptiveRefine(unsigned int currentIncrement){
88 }
89 
90 //adaptive refinement criterion
91 template <int dim>
-
92 void CahnHilliardProblem<dim>::adaptiveRefineCriterion(){
+
92 void CahnHilliardProblem<dim>::adaptiveRefineCriterion(){
93 }
94 #endif
95 
96 #endif
+
rcxV
#define rcxV
Definition: residuals.h:12
+
rmuV
#define rmuV
Definition: residuals.h:9
CahnHilliardProblem::applyInitialConditions
void applyInitialConditions()
Definition: ICs_and_BCs.h:47
MatrixFreePDE
Definition: matrixFreePDE.h:85
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
CahnHilliardProblem::adaptiveRefine
void adaptiveRefine(unsigned int currentIncrement)
Definition: CH.h:87
-
rcV
#define rcV
Definition: residuals.h:11
-
rmuV
#define rmuV
Definition: residuals.h:9
-
CahnHilliardProblem::adaptiveRefineCriterion
void adaptiveRefineCriterion()
Definition: CH.h:92
-
rmuxV
#define rmuxV
Definition: residuals.h:10
+
CahnHilliardProblem::adaptiveRefine
void adaptiveRefine(unsigned int currentIncrement)
Definition: main.cc:13
+
rmuxV
#define rmuxV
Definition: residuals.h:10
+
CahnHilliardProblem::adaptiveRefineCriterion
void adaptiveRefineCriterion()
Definition: main.cc:21
CahnHilliardProblem::getRHS
void getRHS(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range) const
Definition: CH.h:47
typeScalar
dealii::FEEvaluation< problemDIM, finiteElementDegree, finiteElementDegree+1, 1, double > typeScalar
Definition: matrixFreePDE.h:27
-
rcxV
#define rcxV
Definition: residuals.h:12
+
rcV
#define rcV
Definition: residuals.h:11
CahnHilliardProblem::CahnHilliardProblem
CahnHilliardProblem()
Definition: CH.h:32
-
MatrixFreePDE::currentIncrement
unsigned int currentIncrement
Definition: matrixFreePDE.h:255
+
MatrixFreePDE::currentIncrement
unsigned int currentIncrement
Definition: matrixFreePDE.h:268
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
CahnHilliardProblem
Definition: CH.h:10
diff --git a/html/_c_h_a_c__anisotropy_2_i_cs__and___b_cs_8h_source.html b/html/_c_h_a_c__anisotropy_2_i_cs__and___b_cs_8h_source.html index e34382112..87e3f0a7a 100644 --- a/html/_c_h_a_c__anisotropy_2_i_cs__and___b_cs_8h_source.html +++ b/html/_c_h_a_c__anisotropy_2_i_cs__and___b_cs_8h_source.html @@ -127,90 +127,86 @@
35 #endif
36  }
37  else {
-
38  r=p.distance(Point<dim>(spanX/3.0,spanY/3.0));
-
39  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/5.0)/(3*dx)));
-
40  r=p.distance(Point<dim>(3.0*spanX/4.0,3.0*spanY/4.0));
-
41  scalar_IC += 0.5*(1.0-std::tanh((r-spanX/12.0)/(3*dx)));
-
42 #if problemDIM==1
-
43  r=p[0];
-
44  scalar_IC = 0.5*(1-std::tanh((r-spanX/2.0)/6.0));
-
45 #elif problemDIM==2
-
46  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0));
-
47  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
-
48 #elif problemDIM==3
-
49  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0,spanZ/2.0));
-
50  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
-
51 #endif
-
52  }
-
53 
-
54  // =====================================================================
-
55  return scalar_IC;
-
56  }
-
57 };
-
58 
-
59 template <int dim>
-
60 class InitialConditionVec : public Function<dim>
-
61 {
-
62 public:
-
63  unsigned int index;
-
64  //Vector<double> values;
-
65  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
-
66  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
-
67  }
-
68  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
-
69  {
-
70  // =====================================================================
-
71  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
-
72  // =====================================================================
-
73  // Enter the function describing conditions for the fields at point "p".
-
74  // Use "if" statements to set the initial condition for each variable
-
75  // according to its variable index.
-
76 
+
38 #if problemDIM==1
+
39  r=p[0];
+
40  scalar_IC = 0.5*(1-std::tanh((r-spanX/2.0)/6.0));
+
41 #elif problemDIM==2
+
42  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0));
+
43  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
+
44 #elif problemDIM==3
+
45  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0,spanZ/2.0));
+
46  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
+
47 #endif
+
48  }
+
49 
+
50  // =====================================================================
+
51  return scalar_IC;
+
52  }
+
53 };
+
54 
+
55 template <int dim>
+
56 class InitialConditionVec : public Function<dim>
+
57 {
+
58 public:
+
59  unsigned int index;
+
60  //Vector<double> values;
+
61  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
+
62  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
63  }
+
64  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
+
65  {
+
66  // =====================================================================
+
67  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
+
68  // =====================================================================
+
69  // Enter the function describing conditions for the fields at point "p".
+
70  // Use "if" statements to set the initial condition for each variable
+
71  // according to its variable index.
+
72 
+
73 
+
74  // =====================================================================
+
75  }
+
76 };
77 
-
78  // =====================================================================
-
79  }
-
80 };
-
81 
-
82 template <int dim>
-
83 void generalizedProblem<dim>::setBCs(){
-
84 
-
85  // =====================================================================
-
86  // ENTER THE BOUNDARY CONDITIONS HERE
-
87  // =====================================================================
-
88  // This function sets the BCs for the problem variables
-
89  // The function "inputBCs" should be called for each component of
-
90  // each variable and should be in numerical order. Four input arguments
-
91  // set the same BC on the entire boundary. Two plus two times the
-
92  // number of dimensions inputs sets separate BCs on each face of the domain.
-
93  // Inputs to "inputBCs":
-
94  // First input: variable number
-
95  // Second input: component number
-
96  // Third input: BC type (options are "ZERO_DERIVATIVE" and "DIRICHLET")
-
97  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
-
98  // Odd inputs after the third: BC type
-
99  // Even inputs after the third: BC value
-
100  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
-
101  // two for the minimum of the second direction, etc.
-
102 
-
103  inputBCs(0,0,"ZERO_DERIVATIVE",0);
-
104  inputBCs(1,0,"ZERO_DERIVATIVE",0);
-
105 
-
106 }
-
107 
-
108 
-
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:46
-
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:68
+
78 template <int dim>
+
79 void generalizedProblem<dim>::setBCs(){
+
80 
+
81  // =====================================================================
+
82  // ENTER THE BOUNDARY CONDITIONS HERE
+
83  // =====================================================================
+
84  // This function sets the BCs for the problem variables
+
85  // The function "inputBCs" should be called for each component of
+
86  // each variable and should be in numerical order. Four input arguments
+
87  // set the same BC on the entire boundary. Two plus two times the
+
88  // number of dimensions inputs sets separate BCs on each face of the domain.
+
89  // Inputs to "inputBCs":
+
90  // First input: variable number
+
91  // Second input: component number
+
92  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
+
93  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
+
94  // Odd inputs after the third: BC type
+
95  // Even inputs after the third: BC value
+
96  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
+
97  // two for the minimum of the second direction, etc.
+
98 
+
99  inputBCs(0,0,"ZERO_DERIVATIVE",0);
+
100  inputBCs(1,0,"ZERO_DERIVATIVE",0);
+
101 
+
102 }
+
103 
+
104 
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
+
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:64
spanX
#define spanX
Definition: defaultValues.h:12
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
spanY
#define spanY
Definition: defaultValues.h:17
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
refineFactor
#define refineFactor
Definition: defaultValues.h:27
-
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:66
-
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:65
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
+
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:61
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
InitialCondition
Definition: ICs_and_BCs.h:2
-
InitialConditionVec
Definition: ICs_and_BCs.h:43
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
spanZ
#define spanZ
Definition: defaultValues.h:22
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
diff --git a/html/_c_h_a_c__anisotropy_2equations_8h.html b/html/_c_h_a_c__anisotropy_2equations_8h.html index f5a189776..e569d2124 100644 --- a/html/_c_h_a_c__anisotropy_2equations_8h.html +++ b/html/_c_h_a_c__anisotropy_2equations_8h.html @@ -147,11 +147,11 @@   #define rcV   ( c )   -#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV))) +#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV)))   -#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV) +#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV)   -#define rnxV   (constV(timeStep*MnV)*(-aniso)) +#define rnxV   (constV(timeStep*MnV)*(-aniso))  

Macro Definition Documentation

@@ -424,7 +424,7 @@

Macro Definition Documentation

- +
#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV)))#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV)))
@@ -436,7 +436,7 @@

Macro Definition Documentation

- +
#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV)#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV)
@@ -448,7 +448,7 @@

Macro Definition Documentation

- +
#define rnxV   (constV(timeStep*MnV)*(-aniso))#define rnxV   (constV(timeStep*MnV)*(-aniso))
diff --git a/html/_c_h_a_c__anisotropy_2equations_8h_source.html b/html/_c_h_a_c__anisotropy_2equations_8h_source.html index eb1ddc831..b72cb4346 100644 --- a/html/_c_h_a_c__anisotropy_2equations_8h_source.html +++ b/html/_c_h_a_c__anisotropy_2equations_8h_source.html @@ -175,8 +175,8 @@
83 // each residual equation. The index for each variable in these lists corresponds to
84 // the order it is defined at the top of this file (starting at 0).
85 template <int dim>
-
86 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim>> & modelVariablesList,
-
87  std::vector<modelResidual<dim>> & modelResidualsList,
+
86 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
87  std::vector<modelResidual<dim> > & modelResidualsList,
88  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
89 
90 //c
@@ -235,7 +235,7 @@
143 // that the correct residual is being submitted. The index of the field being solved
144 // can be accessed by "this->currentFieldIndex".
145 template <int dim>
-
146 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim>> & modelVarList,
+
146 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVarList,
147  modelResidual<dim> & modelRes, dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
148 
149 }
@@ -252,7 +252,7 @@
160 // density are added to the "energy_components" variable (index 0: chemical energy,
161 // index 1: gradient energy, index 2: elastic energy).
162 template <int dim>
-
163 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim>> & modelVarList,
+
163 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVarList,
164  const dealii::VectorizedArray<double> & JxW_value,
165  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
166 
@@ -286,13 +286,12 @@
194 }
195 assembler_lock.release ();
196 }
-
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim >> &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
modelResidual
Definition: model_variables.h:25
problemDIM
#define problemDIM
Definition: defaultValues.h:7
gamma
#define gamma
Definition: equations.h:56
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
rnV
#define rnV
Definition: equations.h:72
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim >> &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
constV
#define constV(a)
Definition: matrixFreePDE.h:67
faV
#define faV
Definition: equations.h:37
rcxV
#define rcxV
Definition: equations.h:71
@@ -300,12 +299,13 @@
rcV
#define rcV
Definition: equations.h:70
rnxV
#define rnxV
Definition: equations.h:73
hV
#define hV
Definition: equations.h:43
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
fbV
#define fbV
Definition: equations.h:40
gammany
#define gammany
Definition: equations.h:61
gammanz
#define gammanz
Definition: equations.h:62
modelVariable
Definition: model_variables.h:4
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
-
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim >> &modelVarList, std::vector< modelResidual< dim >> &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
diff --git a/html/_c_h_a_c__anisotropy_2parameters_8h.html b/html/_c_h_a_c__anisotropy_2parameters_8h.html index f7035687c..622d22d26 100644 --- a/html/_c_h_a_c__anisotropy_2parameters_8h.html +++ b/html/_c_h_a_c__anisotropy_2parameters_8h.html @@ -123,8 +123,14 @@   #define writeOutput   true   -#define skipOutputSteps   2000 -  +#define outputCondition   "EQUAL_SPACING" +  +#define numOutputs   10 +  +#define outputList   {} +  +#define skipPrintSteps   10 +  #define calcEnergy   true   @@ -151,6 +157,42 @@

Macro Definition Documentation

+
+ + +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "EQUAL_SPACING"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {}
+
+
@@ -177,12 +219,12 @@

Macro Definition Documentation

- +
- +
#define skipOutputSteps   2000#define skipPrintSteps   10
diff --git a/html/_c_h_a_c__anisotropy_2parameters_8h_source.html b/html/_c_h_a_c__anisotropy_2parameters_8h_source.html index e3749016c..cd791c1fa 100644 --- a/html/_c_h_a_c__anisotropy_2parameters_8h_source.html +++ b/html/_c_h_a_c__anisotropy_2parameters_8h_source.html @@ -136,13 +136,25 @@
44 // Each field in the problem will be output is writeOutput is set to "true"
45 #define writeOutput true
46 
-
47 // Output files are written every skipOutputSteps time steps
-
48 #define skipOutputSteps 2000
-
49 
-
50 // =================================================================================
-
51 // Set the flag determining if the total free energy is calculated for each output
-
52 // =================================================================================
-
53 #define calcEnergy true
+
47 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
48 // or "LIST")
+
49 #define outputCondition "EQUAL_SPACING"
+
50 
+
51 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
52 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
53 #define numOutputs 10
+
54 
+
55 // User-defined list of time steps where the program should output. Only used if
+
56 // outputCondition is "LIST"
+
57 #define outputList {}
+
58 
+
59 // Status is printed to the screen every skipPrintSteps
+
60 #define skipPrintSteps 10
+
61 
+
62 // =================================================================================
+
63 // Set the flag determining if the total free energy is calculated for each output
+
64 // =================================================================================
+
65 #define calcEnergy true
diff --git a/html/_c_h_a_c__anisotropy_regularized_2_i_cs__and___b_cs_8h_source.html b/html/_c_h_a_c__anisotropy_regularized_2_i_cs__and___b_cs_8h_source.html index e891437cd..1c96f236b 100644 --- a/html/_c_h_a_c__anisotropy_regularized_2_i_cs__and___b_cs_8h_source.html +++ b/html/_c_h_a_c__anisotropy_regularized_2_i_cs__and___b_cs_8h_source.html @@ -127,92 +127,88 @@
35 #endif
36  }
37  if (index == 1) {
-
38  r=p.distance(Point<dim>(spanX/3.0,spanY/3.0));
-
39  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/5.0)/(3*dx)));
-
40  r=p.distance(Point<dim>(3.0*spanX/4.0,3.0*spanY/4.0));
-
41  scalar_IC += 0.5*(1.0-std::tanh((r-spanX/12.0)/(3*dx)));
-
42 #if problemDIM==1
-
43  r=p[0];
-
44  scalar_IC = 0.5*(1-std::tanh((r-spanX/2.0)/6.0));
-
45 #elif problemDIM==2
-
46  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0));
-
47  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
-
48 #elif problemDIM==3
-
49  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0,spanZ/2.0));
-
50  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
-
51 #endif
-
52  }
-
53  if (index == 2) scalar_IC = 0.0;
-
54  // =====================================================================
-
55  return scalar_IC;
-
56  }
-
57 };
-
58 
-
59 template <int dim>
-
60 class InitialConditionVec : public Function<dim>
-
61 {
-
62 public:
-
63  unsigned int index;
-
64  //Vector<double> values;
-
65  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
-
66  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
-
67  }
-
68  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
-
69  {
-
70  // =====================================================================
-
71  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
-
72  // =====================================================================
-
73  // Enter the function describing conditions for the fields at point "p".
-
74  // Use "if" statements to set the initial condition for each variable
-
75  // according to its variable index.
-
76 
+
38 #if problemDIM==1
+
39  r=p[0];
+
40  scalar_IC = 0.5*(1-std::tanh((r-spanX/2.0)/6.0));
+
41 #elif problemDIM==2
+
42  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0));
+
43  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
+
44 #elif problemDIM==3
+
45  r=p.distance(Point<dim>(spanX/2.0,spanY/2.0,spanZ/2.0));
+
46  scalar_IC = 0.5*(1.0-std::tanh((r-spanX/4.0)/4.0));
+
47 #endif
+
48  }
+
49  if (index == 2) scalar_IC = 0.0;
+
50  // =====================================================================
+
51  return scalar_IC;
+
52  }
+
53 };
+
54 
+
55 template <int dim>
+
56 class InitialConditionVec : public Function<dim>
+
57 {
+
58 public:
+
59  unsigned int index;
+
60  //Vector<double> values;
+
61  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
+
62  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
63  }
+
64  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
+
65  {
+
66  // =====================================================================
+
67  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
+
68  // =====================================================================
+
69  // Enter the function describing conditions for the fields at point "p".
+
70  // Use "if" statements to set the initial condition for each variable
+
71  // according to its variable index.
+
72 
+
73 
+
74  // =====================================================================
+
75  }
+
76 };
77 
-
78  // =====================================================================
-
79  }
-
80 };
+
78 
+
79 template <int dim>
+
80 void generalizedProblem<dim>::setBCs(){
81 
-
82 
-
83 template <int dim>
-
84 void generalizedProblem<dim>::setBCs(){
-
85 
-
86  // =====================================================================
-
87  // ENTER THE BOUNDARY CONDITIONS HERE
-
88  // =====================================================================
-
89  // This function sets the BCs for the problem variables
-
90  // The function "inputBCs" should be called for each component of
-
91  // each variable and should be in numerical order. Four input arguments
-
92  // set the same BC on the entire boundary. Two plus two times the
-
93  // number of dimensions inputs sets separate BCs on each face of the domain.
-
94  // Inputs to "inputBCs":
-
95  // First input: variable number
-
96  // Second input: component number
-
97  // Third input: BC type (options are "ZERO_DERIVATIVE" and "DIRICHLET")
-
98  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
-
99  // Odd inputs after the third: BC type
-
100  // Even inputs after the third: BC value
-
101  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
-
102  // two for the minimum of the second direction, etc.
+
82  // =====================================================================
+
83  // ENTER THE BOUNDARY CONDITIONS HERE
+
84  // =====================================================================
+
85  // This function sets the BCs for the problem variables
+
86  // The function "inputBCs" should be called for each component of
+
87  // each variable and should be in numerical order. Four input arguments
+
88  // set the same BC on the entire boundary. Two plus two times the
+
89  // number of dimensions inputs sets separate BCs on each face of the domain.
+
90  // Inputs to "inputBCs":
+
91  // First input: variable number
+
92  // Second input: component number
+
93  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
+
94  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
+
95  // Odd inputs after the third: BC type
+
96  // Even inputs after the third: BC value
+
97  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
+
98  // two for the minimum of the second direction, etc.
+
99 
+
100  inputBCs(0,0,"ZERO_DERIVATIVE",0);
+
101  inputBCs(1,0,"ZERO_DERIVATIVE",0);
+
102  inputBCs(2,0,"ZERO_DERIVATIVE",0);
103 
-
104  inputBCs(0,0,"ZERO_DERIVATIVE",0);
-
105  inputBCs(1,0,"ZERO_DERIVATIVE",0);
-
106  inputBCs(2,0,"ZERO_DERIVATIVE",0);
-
107 
-
108 }
-
109 
-
110 
-
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:46
-
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:68
+
104 }
+
105 
+
106 
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
+
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:64
spanX
#define spanX
Definition: defaultValues.h:12
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
spanY
#define spanY
Definition: defaultValues.h:17
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
refineFactor
#define refineFactor
Definition: defaultValues.h:27
-
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:66
-
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:65
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
+
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:61
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
InitialCondition
Definition: ICs_and_BCs.h:2
-
InitialConditionVec
Definition: ICs_and_BCs.h:43
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
spanZ
#define spanZ
Definition: defaultValues.h:22
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
diff --git a/html/_c_h_a_c__anisotropy_regularized_2equations_8h.html b/html/_c_h_a_c__anisotropy_regularized_2equations_8h.html index fb766c920..a7b8d7999 100644 --- a/html/_c_h_a_c__anisotropy_regularized_2equations_8h.html +++ b/html/_c_h_a_c__anisotropy_regularized_2equations_8h.html @@ -153,11 +153,11 @@   #define rcV   ( c )   -#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV))) +#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV)))   -#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV) +#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV)   -#define rnxV   (constV(timeStep*MnV)*(-aniso+constV(delta2)*biharmx)) +#define rnxV   (constV(timeStep*MnV)*(-aniso+constV(delta2)*biharmx))  

Macro Definition Documentation

@@ -466,7 +466,7 @@

Macro Definition Documentation

- +
#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV)))#define rcxV   (constV(-McV*timeStep)*(cx*((1.0-hV)*faccV+hV*fbccV)+nx*hnV*(fbcV-facV)))
@@ -478,7 +478,7 @@

Macro Definition Documentation

- +
#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV)#define rnV   (n-constV(timeStep*MnV)*(fbV-faV)*hnV)
@@ -490,7 +490,7 @@

Macro Definition Documentation

- +
#define rnxV   (constV(timeStep*MnV)*(-aniso+constV(delta2)*biharmx))#define rnxV   (constV(timeStep*MnV)*(-aniso+constV(delta2)*biharmx))
diff --git a/html/_c_h_a_c__anisotropy_regularized_2equations_8h_source.html b/html/_c_h_a_c__anisotropy_regularized_2equations_8h_source.html index 156ff9f08..2bd9f8917 100644 --- a/html/_c_h_a_c__anisotropy_regularized_2equations_8h_source.html +++ b/html/_c_h_a_c__anisotropy_regularized_2equations_8h_source.html @@ -179,130 +179,130 @@
87 // "modelResidualsList", a list of the value and gradient terms of the residual for
88 // each residual equation. The index for each variable in these lists corresponds to
89 // the order it is defined at the top of this file (starting at 0).template <int dim>
-
90 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim>> & modelVariablesList,
-
91  std::vector<modelResidual<dim>> & modelResidualsList,
-
92  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
-
93 
-
94 //c
-
95 scalarvalueType c = modelVariablesList[0].scalarValue;
-
96 scalargradType cx = modelVariablesList[0].scalarGrad;
-
97 
-
98 //n
-
99 scalarvalueType n = modelVariablesList[1].scalarValue;
-
100 scalargradType nx = modelVariablesList[1].scalarGrad;
-
101 
-
102 //biharm
-
103 scalargradType biharmx = modelVariablesList[2].scalarGrad;
-
104 
-
105 // anisotropy code
-
106 scalarvalueType normgradn = std::sqrt(nx.norm_square());
-
107 scalargradType normal = nx/(normgradn+constV(1.0e-16));
-
108 scalarvalueType gamma_scl = gamma;
-
109 scalargradType aniso;
-
110 #if problemDIM==1
-
111  aniso = gamma_scl*gamma_scl*nx
-
112 #else
-
113  scalargradType dgammadnorm;
-
114  dgammadnorm[0]=gammanx;
-
115  dgammadnorm[1]=gammany;
-
116 #if problemDIM>2
-
117  dgammadnorm[2]=gammanz;
-
118 #endif
-
119  for (unsigned int i=0; i<problemDIM; ++i){
-
120  for (unsigned int j=0; j<problemDIM; ++j){
-
121  aniso[i] += -normal[i]*normal[j]*dgammadnorm[j];
-
122  if (i==j) aniso[i] +=dgammadnorm[j];
-
123  }
-
124  }
-
125  aniso = gamma_scl*(aniso*normgradn+gamma_scl*nx);
-
126 #endif
-
127 // end anisotropy code
-
128 
-
129 modelResidualsList[0].scalarValueResidual = rcV;
-
130 modelResidualsList[0].scalarGradResidual = rcxV;
-
131 
-
132 modelResidualsList[1].scalarValueResidual = rnV;
-
133 modelResidualsList[1].scalarGradResidual = rnxV;
-
134 
-
135 modelResidualsList[2].scalarGradResidual = rbiharmxV;
-
136 }
-
137 
-
138 // =================================================================================
-
139 // residualLHS (needed only if at least one equation is elliptic)
-
140 // =================================================================================
-
141 // This function calculates the residual equations for the iterative solver for
-
142 // elliptic equations.for each variable. It takes "modelVariablesList" as an input,
-
143 // which is a list of the value and derivatives of each of the variables at a
-
144 // specific quadrature point. The (x,y,z) location of that quadrature point is given
-
145 // by "q_point_loc". The function outputs "modelRes", the value and gradient terms of
-
146 // for the left-hand-side of the residual equation for the iterative solver. The
-
147 // index for each variable in these lists corresponds to the order it is defined at
-
148 // the top of this file (starting at 0), not counting variables that have
-
149 // "need_val_LHS", "need_grad_LHS", and "need_hess_LHS" all set to "false". If there
-
150 // are multiple elliptic equations, conditional statements should be used to ensure
-
151 // that the correct residual is being submitted. The index of the field being solved
-
152 // can be accessed by "this->currentFieldIndex".
-
153 template <int dim>
-
154 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim>> & modelVarList,
-
155  modelResidual<dim> & modelRes, dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
-
156 
-
157 }
-
158 
-
159 // =================================================================================
-
160 // energyDensity (needed only if calcEnergy == true)
-
161 // =================================================================================
-
162 // This function integrates the free energy density across the computational domain.
-
163 // It takes "modelVariablesList" as an input, which is a list of the value and
-
164 // derivatives of each of the variables at a specific quadrature point. It also
-
165 // takes the mapped quadrature weight, "JxW_value", as an input. The (x,y,z) location
-
166 // of the quadrature point is given by "q_point_loc". The weighted value of the
-
167 // energy density is added to "energy" variable and the components of the energy
-
168 // density are added to the "energy_components" variable (index 0: chemical energy,
-
169 // index 1: gradient energy, index 2: elastic energy).
-
170 template <int dim>
-
171 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim>> & modelVarList,
-
172  const dealii::VectorizedArray<double> & JxW_value,
-
173  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
-
174 
-
175 scalarvalueType total_energy_density = constV(0.0);
-
176 
-
177 //c
-
178 scalarvalueType c = modelVarList[0].scalarValue;
-
179 scalargradType cx = modelVarList[0].scalarGrad;
-
180 
-
181 //n1
-
182 scalarvalueType n = modelVarList[1].scalarValue;
-
183 scalargradType nx = modelVarList[1].scalarGrad;
-
184 
-
185 //biharm
-
186 scalarvalueType biharm = modelVarList[2].scalarValue;
-
187 
-
188 scalarvalueType f_chem = (constV(1.0)-hV)*faV + hV*fbV;
-
189 
-
190 scalargradType normal = nx/(std::sqrt(nx.norm_square())+constV(1.0e-16));
-
191 scalarvalueType f_grad = constV(0.5)*gamma*gamma*nx*nx;
-
192 scalarvalueType f_reg = constV(0.5)*delta2*biharm*biharm;
-
193 
-
194 total_energy_density = f_chem + f_grad + f_reg;
-
195 
-
196 assembler_lock.acquire ();
-
197 for (unsigned i=0; i<c.n_array_elements;i++){
-
198  // For some reason, some of the values in this loop
-
199  if (c[i] > 1.0e-10){
-
200  this->energy+=total_energy_density[i]*JxW_value[i];
-
201  this->energy_components[0]+= f_chem[i]*JxW_value[i];
-
202  this->energy_components[1]+= f_grad[i]*JxW_value[i];
-
203  this->energy_components[2]+= f_reg[i]*JxW_value[i];
-
204  }
-
205 }
-
206 assembler_lock.release ();
-
207 }
-
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim >> &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
+
90 template <int dim>
+
91 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
92  std::vector<modelResidual<dim> > & modelResidualsList,
+
93  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
94 
+
95 //c
+
96 scalarvalueType c = modelVariablesList[0].scalarValue;
+
97 scalargradType cx = modelVariablesList[0].scalarGrad;
+
98 
+
99 //n
+
100 scalarvalueType n = modelVariablesList[1].scalarValue;
+
101 scalargradType nx = modelVariablesList[1].scalarGrad;
+
102 
+
103 //biharm
+
104 scalargradType biharmx = modelVariablesList[2].scalarGrad;
+
105 
+
106 // anisotropy code
+
107 scalarvalueType normgradn = std::sqrt(nx.norm_square());
+
108 scalargradType normal = nx/(normgradn+constV(1.0e-16));
+
109 scalarvalueType gamma_scl = gamma;
+
110 scalargradType aniso;
+
111 #if problemDIM==1
+
112  aniso = gamma_scl*gamma_scl*nx
+
113 #else
+
114  scalargradType dgammadnorm;
+
115  dgammadnorm[0]=gammanx;
+
116  dgammadnorm[1]=gammany;
+
117 #if problemDIM>2
+
118  dgammadnorm[2]=gammanz;
+
119 #endif
+
120  for (unsigned int i=0; i<problemDIM; ++i){
+
121  for (unsigned int j=0; j<problemDIM; ++j){
+
122  aniso[i] += -normal[i]*normal[j]*dgammadnorm[j];
+
123  if (i==j) aniso[i] +=dgammadnorm[j];
+
124  }
+
125  }
+
126  aniso = gamma_scl*(aniso*normgradn+gamma_scl*nx);
+
127 #endif
+
128 // end anisotropy code
+
129 
+
130 modelResidualsList[0].scalarValueResidual = rcV;
+
131 modelResidualsList[0].scalarGradResidual = rcxV;
+
132 
+
133 modelResidualsList[1].scalarValueResidual = rnV;
+
134 modelResidualsList[1].scalarGradResidual = rnxV;
+
135 
+
136 modelResidualsList[2].scalarGradResidual = rbiharmxV;
+
137 }
+
138 
+
139 // =================================================================================
+
140 // residualLHS (needed only if at least one equation is elliptic)
+
141 // =================================================================================
+
142 // This function calculates the residual equations for the iterative solver for
+
143 // elliptic equations.for each variable. It takes "modelVariablesList" as an input,
+
144 // which is a list of the value and derivatives of each of the variables at a
+
145 // specific quadrature point. The (x,y,z) location of that quadrature point is given
+
146 // by "q_point_loc". The function outputs "modelRes", the value and gradient terms of
+
147 // for the left-hand-side of the residual equation for the iterative solver. The
+
148 // index for each variable in these lists corresponds to the order it is defined at
+
149 // the top of this file (starting at 0), not counting variables that have
+
150 // "need_val_LHS", "need_grad_LHS", and "need_hess_LHS" all set to "false". If there
+
151 // are multiple elliptic equations, conditional statements should be used to ensure
+
152 // that the correct residual is being submitted. The index of the field being solved
+
153 // can be accessed by "this->currentFieldIndex".
+
154 template <int dim>
+
155 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVarList,
+
156  modelResidual<dim> & modelRes, dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
157 
+
158 }
+
159 
+
160 // =================================================================================
+
161 // energyDensity (needed only if calcEnergy == true)
+
162 // =================================================================================
+
163 // This function integrates the free energy density across the computational domain.
+
164 // It takes "modelVariablesList" as an input, which is a list of the value and
+
165 // derivatives of each of the variables at a specific quadrature point. It also
+
166 // takes the mapped quadrature weight, "JxW_value", as an input. The (x,y,z) location
+
167 // of the quadrature point is given by "q_point_loc". The weighted value of the
+
168 // energy density is added to "energy" variable and the components of the energy
+
169 // density are added to the "energy_components" variable (index 0: chemical energy,
+
170 // index 1: gradient energy, index 2: elastic energy).
+
171 template <int dim>
+
172 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVarList,
+
173  const dealii::VectorizedArray<double> & JxW_value,
+
174  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
+
175 
+
176 scalarvalueType total_energy_density = constV(0.0);
+
177 
+
178 //c
+
179 scalarvalueType c = modelVarList[0].scalarValue;
+
180 scalargradType cx = modelVarList[0].scalarGrad;
+
181 
+
182 //n1
+
183 scalarvalueType n = modelVarList[1].scalarValue;
+
184 scalargradType nx = modelVarList[1].scalarGrad;
+
185 
+
186 //biharm
+
187 scalarvalueType biharm = modelVarList[2].scalarValue;
+
188 
+
189 scalarvalueType f_chem = (constV(1.0)-hV)*faV + hV*fbV;
+
190 
+
191 scalargradType normal = nx/(std::sqrt(nx.norm_square())+constV(1.0e-16));
+
192 scalarvalueType f_grad = constV(0.5)*gamma*gamma*nx*nx;
+
193 scalarvalueType f_reg = constV(0.5)*delta2*biharm*biharm;
+
194 
+
195 total_energy_density = f_chem + f_grad + f_reg;
+
196 
+
197 assembler_lock.acquire ();
+
198 for (unsigned i=0; i<c.n_array_elements;i++){
+
199  // For some reason, some of the values in this loop
+
200  if (c[i] > 1.0e-10){
+
201  this->energy+=total_energy_density[i]*JxW_value[i];
+
202  this->energy_components[0]+= f_chem[i]*JxW_value[i];
+
203  this->energy_components[1]+= f_grad[i]*JxW_value[i];
+
204  this->energy_components[2]+= f_reg[i]*JxW_value[i];
+
205  }
+
206 }
+
207 assembler_lock.release ();
+
208 }
modelResidual
Definition: model_variables.h:25
problemDIM
#define problemDIM
Definition: defaultValues.h:7
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
hV
#define hV
Definition: equations.h:43
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim >> &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
constV
#define constV(a)
Definition: matrixFreePDE.h:67
rcV
#define rcV
Definition: equations.h:75
faV
#define faV
Definition: equations.h:37
@@ -311,14 +311,15 @@
rnV
#define rnV
Definition: equations.h:77
fbV
#define fbV
Definition: equations.h:40
rcxV
#define rcxV
Definition: equations.h:76
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
rnxV
#define rnxV
Definition: equations.h:78
gammanx
#define gammanx
Definition: equations.h:62
gammany
#define gammany
Definition: equations.h:63
modelVariable
Definition: model_variables.h:4
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
-
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim >> &modelVarList, std::vector< modelResidual< dim >> &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
rbiharmxV
#define rbiharmxV
Definition: equations.h:74
delta2
#define delta2
Definition: equations.h:48
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
diff --git a/html/_c_h_a_c__anisotropy_regularized_2parameters_8h.html b/html/_c_h_a_c__anisotropy_regularized_2parameters_8h.html index 314398f55..343abcf19 100644 --- a/html/_c_h_a_c__anisotropy_regularized_2parameters_8h.html +++ b/html/_c_h_a_c__anisotropy_regularized_2parameters_8h.html @@ -123,8 +123,14 @@   #define writeOutput   true   -#define skipOutputSteps   2000 -  +#define outputCondition   "EQUAL_SPACING" +  +#define numOutputs   10 +  +#define outputList   {} +  +#define skipPrintSteps   10 +  #define calcEnergy   true   @@ -151,6 +157,42 @@

Macro Definition Documentation

+
+ + +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "EQUAL_SPACING"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {}
+
+
@@ -177,12 +219,12 @@

Macro Definition Documentation

- +
- +
#define skipOutputSteps   2000#define skipPrintSteps   10
diff --git a/html/_c_h_a_c__anisotropy_regularized_2parameters_8h_source.html b/html/_c_h_a_c__anisotropy_regularized_2parameters_8h_source.html index 7a07e0468..eb59dfa83 100644 --- a/html/_c_h_a_c__anisotropy_regularized_2parameters_8h_source.html +++ b/html/_c_h_a_c__anisotropy_regularized_2parameters_8h_source.html @@ -136,13 +136,25 @@
44 // Each field in the problem will be output is writeOutput is set to "true"
45 #define writeOutput true
46 
-
47 // Output files are written every skipOutputSteps time steps
-
48 #define skipOutputSteps 2000
-
49 
-
50 // =================================================================================
-
51 // Set the flag determining if the total free energy is calculated for each output
-
52 // =================================================================================
-
53 #define calcEnergy true
+
47 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
48 // or "LIST")
+
49 #define outputCondition "EQUAL_SPACING"
+
50 
+
51 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
52 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
53 #define numOutputs 10
+
54 
+
55 // User-defined list of time steps where the program should output. Only used if
+
56 // outputCondition is "LIST"
+
57 #define outputList {}
+
58 
+
59 // Status is printed to the screen every skipPrintSteps
+
60 #define skipPrintSteps 10
+
61 
+
62 // =================================================================================
+
63 // Set the flag determining if the total free energy is calculated for each output
+
64 // =================================================================================
+
65 #define calcEnergy true
diff --git a/html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h.html b/html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h.html new file mode 100644 index 000000000..aa958e878 --- /dev/null +++ b/html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h.html @@ -0,0 +1,113 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark1a/ICs_and_BCs.h File Reference + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+Classes
+
+
ICs_and_BCs.h File Reference
+
+
+ +

Go to the source code of this file.

+ + + + + + +

+Classes

class  InitialCondition< dim >
 
class  InitialConditionVec< dim >
 
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h_source.html b/html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h_source.html new file mode 100644 index 000000000..264f0af4b --- /dev/null +++ b/html/_c_hi_ma_d__benchmark1a_2_i_cs__and___b_cs_8h_source.html @@ -0,0 +1,200 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark1a/ICs_and_BCs.h Source File + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+
ICs_and_BCs.h
+
+
+Go to the documentation of this file.
1 template <int dim>
+
2 class InitialCondition : public Function<dim>
+
3 {
+
4 public:
+
5  unsigned int index;
+
6  Vector<double> values;
+
7  InitialCondition (const unsigned int _index) : Function<dim>(1), index(_index) {
+
8  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
9  }
+
10  double value (const Point<dim> &p, const unsigned int component = 0) const
+
11  {
+
12  double scalar_IC = 0;
+
13  // =====================================================================
+
14  // ENTER THE INITIAL CONDITIONS HERE FOR SCALAR FIELDS
+
15  // =====================================================================
+
16  // Enter the function describing conditions for the fields at point "p".
+
17  // Use "if" statements to set the initial condition for each variable
+
18  // according to its variable index.
+
19 
+
20  if (index == 0){
+
21  double epsilon=0.01;
+
22  double c0 = 0.5;
+
23  double dx=spanX/((double) subdivisionsX)/std::pow(2.0,refineFactor);
+
24  scalar_IC = c0+epsilon*(std::cos(0.105*p[0])*std::cos(0.11*p[1])+
+
25  std::pow(std::cos(0.13*p[0])*std::cos(0.087*p[1]),2.0)+
+
26  std::cos(0.025*p[0]-0.15*p[1])*std::cos(0.07*p[0]-0.02*p[1]));
+
27 
+
28  }
+
29  else {
+
30  scalar_IC = 0.0;
+
31  }
+
32 
+
33  // =====================================================================
+
34  return scalar_IC;
+
35  }
+
36 };
+
37 
+
38 template <int dim>
+
39 class InitialConditionVec : public Function<dim>
+
40 {
+
41 public:
+
42  unsigned int index;
+
43  //Vector<double> values;
+
44  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
+
45  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
46  }
+
47  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
+
48  {
+
49  // =====================================================================
+
50  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
+
51  // =====================================================================
+
52  // Enter the function describing conditions for the fields at point "p".
+
53  // Use "if" statements to set the initial condition for each variable
+
54  // according to its variable index.
+
55 
+
56 
+
57  // =====================================================================
+
58  }
+
59 };
+
60 
+
61 
+
62 template <int dim>
+
63 void generalizedProblem<dim>::setBCs(){
+
64 
+
65  // =====================================================================
+
66  // ENTER THE BOUNDARY CONDITIONS HERE
+
67  // =====================================================================
+
68  // This function sets the BCs for the problem variables
+
69  // The function "inputBCs" should be called for each component of
+
70  // each variable and should be in numerical order. Four input arguments
+
71  // set the same BC on the entire boundary. Two plus two times the
+
72  // number of dimensions inputs sets separate BCs on each face of the domain.
+
73  // Inputs to "inputBCs":
+
74  // First input: variable number
+
75  // Second input: component number
+
76  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
+
77  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
+
78  // Odd inputs after the third: BC type
+
79  // Even inputs after the third: BC value
+
80  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
+
81  // two for the minimum of the second direction, etc.
+
82 
+
83  inputBCs(0,0,"ZERO_DERIVATIVE",0);
+
84  inputBCs(1,0,"ZERO_DERIVATIVE",0);
+
85 
+
86 }
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
+
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:47
+
spanX
#define spanX
Definition: defaultValues.h:12
+
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
+
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
+
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
+
refineFactor
#define refineFactor
Definition: defaultValues.h:27
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
+
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:44
+
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
+
InitialCondition
Definition: ICs_and_BCs.h:2
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
+
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark1a_2equations_8h.html b/html/_c_hi_ma_d__benchmark1a_2equations_8h.html new file mode 100644 index 000000000..eb89973db --- /dev/null +++ b/html/_c_hi_ma_d__benchmark1a_2equations_8h.html @@ -0,0 +1,348 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark1a/equations.h File Reference + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
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+Macros
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equations.h File Reference
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+
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Go to the source code of this file.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

+Macros

#define num_var   2
 
#define variable_name   {"c", "mu"}
 
#define variable_type   {"SCALAR", "SCALAR"}
 
#define variable_eq_type   {"PARABOLIC", "PARABOLIC"}
 
#define need_val   {true, true}
 
#define need_grad   {true, true}
 
#define need_hess   {false, false}
 
#define need_val_residual   {true, true}
 
#define need_grad_residual   {true, true}
 
#define McV   5.0
 
#define KcV   2.0
 
#define fV   (5.0*(c-0.3)*(c-0.3)*(c-0.7)*(c-0.7))
 
#define fcV   (5.0*(2.0*(c-0.3)*(c-0.7)*(c-0.7)+2.0*(c-0.3)*(c-0.3)*(c-0.7)))
 
#define rmuV   (fcV)
 
#define rmuxV   (constV(KcV)*cx)
 
#define rcV   (c)
 
#define rcxV   (constV(-McV*timeStep)*mux)
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define fcV   (5.0*(2.0*(c-0.3)*(c-0.7)*(c-0.7)+2.0*(c-0.3)*(c-0.3)*(c-0.7)))
+
+ +
+
+ +
+
+ + + + +
#define fV   (5.0*(c-0.3)*(c-0.3)*(c-0.7)*(c-0.7))
+
+ +
+
+ +
+
+ + + + +
#define KcV   2.0
+
+ +
+
+ +
+
+ + + + +
#define McV   5.0
+
+ +
+
+ +
+
+ + + + +
#define need_grad   {true, true}
+
+ +
+
+ +
+
+ + + + +
#define need_grad_residual   {true, true}
+
+ +
+
+ +
+
+ + + + +
#define need_hess   {false, false}
+
+ +
+
+ +
+
+ + + + +
#define need_val   {true, true}
+
+ +
+
+ +
+
+ + + + +
#define need_val_residual   {true, true}
+
+ +
+
+ +
+
+ + + + +
#define num_var   2
+
+ +
+
+ +
+
+ + + + +
#define rcV   (c)
+
+ +
+
+ +
+
+ + + + +
#define rcxV   (constV(-McV*timeStep)*mux)
+
+ +
+
+ +
+
+ + + + +
#define rmuV   (fcV)
+
+ +
+
+ +
+
+ + + + +
#define rmuxV   (constV(KcV)*cx)
+
+ +
+
+ +
+
+ + + + +
#define variable_eq_type   {"PARABOLIC", "PARABOLIC"}
+
+ +
+
+ +
+
+ + + + +
#define variable_name   {"c", "mu"}
+
+ +
+
+ +
+
+ + + + +
#define variable_type   {"SCALAR", "SCALAR"}
+
+ +
+
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark1a_2equations_8h_source.html b/html/_c_hi_ma_d__benchmark1a_2equations_8h_source.html new file mode 100644 index 000000000..965e4be75 --- /dev/null +++ b/html/_c_hi_ma_d__benchmark1a_2equations_8h_source.html @@ -0,0 +1,274 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark1a/equations.h Source File + + + + + + + + + + +
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PRISMS PhaseField +  1.0 +
+
+
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+
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+ +
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+
+
+
equations.h
+
+
+Go to the documentation of this file.
1 // List of variables and residual equations for the Cahn-Hilliard example application
+
2 
+
3 // =================================================================================
+
4 // Define the variables in the model
+
5 // =================================================================================
+
6 // The number of variables
+
7 #define num_var 2
+
8 
+
9 // The names of the variables, whether they are scalars or vectors and whether the
+
10 // governing eqn for the variable is parabolic or elliptic
+
11 #define variable_name {"c", "mu"}
+
12 #define variable_type {"SCALAR", "SCALAR"}
+
13 #define variable_eq_type {"PARABOLIC", "PARABOLIC"}
+
14 
+
15 // Flags for whether the value, gradient, and Hessian are needed in the residual eqns
+
16 #define need_val {true, true}
+
17 #define need_grad {true, true}
+
18 #define need_hess {false, false}
+
19 
+
20 // Flags for whether the residual equation has a term multiplied by the test function
+
21 // (need_val_residual) and/or the gradient of the test function (need_grad_residual)
+
22 #define need_val_residual {true, true}
+
23 #define need_grad_residual {true, true}
+
24 
+
25 // =================================================================================
+
26 // Define the model parameters and the residual equations
+
27 // =================================================================================
+
28 // Parameters in the residual equations and expressions for the residual equations
+
29 // can be set here. For simple cases, the entire residual equation can be written
+
30 // here. For more complex cases with loops or conditional statements, residual
+
31 // equations (or parts of residual equations) can be written below in "residualRHS".
+
32 
+
33 // Mobility
+
34 #define McV 5.0
+
35 
+
36 // Gradient energy coefficient
+
37 #define KcV 2.0
+
38 
+
39 // The free energy and its derivative
+
40 #define fV (5.0*(c-0.3)*(c-0.3)*(c-0.7)*(c-0.7))
+
41 #define fcV (5.0*(2.0*(c-0.3)*(c-0.7)*(c-0.7)+2.0*(c-0.3)*(c-0.3)*(c-0.7)))
+
42 
+
43 // Residual equations
+
44 #define rmuV (fcV)
+
45 #define rmuxV (constV(KcV)*cx)
+
46 #define rcV (c)
+
47 #define rcxV (constV(-McV*timeStep)*mux)
+
48 
+
49 
+
50 // =================================================================================
+
51 // residualRHS
+
52 // =================================================================================
+
53 // This function calculates the residual equations for each variable. It takes
+
54 // "modelVariablesList" as an input, which is a list of the value and derivatives of
+
55 // each of the variables at a specific quadrature point. The (x,y,z) location of
+
56 // that quadrature point is given by "q_point_loc". The function outputs
+
57 // "modelResidualsList", a list of the value and gradient terms of the residual for
+
58 // each residual equation. The index for each variable in these lists corresponds to
+
59 // the order it is defined at the top of this file (starting at 0).
+
60 template <int dim>
+
61 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
62  std::vector<modelResidual<dim> > & modelResidualsList,
+
63  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
64 
+
65 // The concentration and its derivatives (names here should match those in the macros above)
+
66 scalarvalueType c = modelVariablesList[0].scalarValue;
+
67 scalargradType cx = modelVariablesList[0].scalarGrad;
+
68 
+
69 // The chemical potential and its derivatives (names here should match those in the macros above)
+
70 scalarvalueType mu = modelVariablesList[1].scalarValue;
+
71 scalargradType mux = modelVariablesList[1].scalarGrad;
+
72 
+
73 // Residuals for the equation to evolve the concentration (names here should match those in the macros above)
+
74 modelResidualsList[0].scalarValueResidual = rcV;
+
75 modelResidualsList[0].scalarGradResidual = rcxV;
+
76 
+
77 // Residuals for the equation to evolve the chemical potential (names here should match those in the macros above)
+
78 modelResidualsList[1].scalarValueResidual = rmuV;
+
79 modelResidualsList[1].scalarGradResidual = rmuxV;
+
80 
+
81 }
+
82 
+
83 // =================================================================================
+
84 // residualLHS (needed only if at least one equation is elliptic)
+
85 // =================================================================================
+
86 // This function calculates the residual equations for the iterative solver for
+
87 // elliptic equations.for each variable. It takes "modelVariablesList" as an input,
+
88 // which is a list of the value and derivatives of each of the variables at a
+
89 // specific quadrature point. The (x,y,z) location of that quadrature point is given
+
90 // by "q_point_loc". The function outputs "modelRes", the value and gradient terms of
+
91 // for the left-hand-side of the residual equation for the iterative solver. The
+
92 // index for each variable in these lists corresponds to the order it is defined at
+
93 // the top of this file (starting at 0), not counting variables that have
+
94 // "need_val_LHS", "need_grad_LHS", and "need_hess_LHS" all set to "false". If there
+
95 // are multiple elliptic equations, conditional statements should be used to ensure
+
96 // that the correct residual is being submitted. The index of the field being solved
+
97 // can be accessed by "this->currentFieldIndex".
+
98 template <int dim>
+
99 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVarList,
+
100  modelResidual<dim> & modelRes,
+
101  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
102 }
+
103 
+
104 // =================================================================================
+
105 // energyDensity (needed only if calcEnergy == true)
+
106 // =================================================================================
+
107 // This function integrates the free energy density across the computational domain.
+
108 // It takes "modelVariablesList" as an input, which is a list of the value and
+
109 // derivatives of each of the variables at a specific quadrature point. It also
+
110 // takes the mapped quadrature weight, "JxW_value", as an input. The (x,y,z) location
+
111 // of the quadrature point is given by "q_point_loc". The weighted value of the
+
112 // energy density is added to "energy" variable and the components of the energy
+
113 // density are added to the "energy_components" variable (index 0: chemical energy,
+
114 // index 1: gradient energy, index 2: elastic energy).
+
115 template <int dim>
+
116 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVariablesList,
+
117  const dealii::VectorizedArray<double> & JxW_value,
+
118  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
+
119 scalarvalueType total_energy_density = constV(0.0);
+
120 
+
121 // The concentration and its derivatives (names here should match those in the macros above)
+
122 scalarvalueType c = modelVariablesList[0].scalarValue;
+
123 scalargradType cx = modelVariablesList[0].scalarGrad;
+
124 
+
125 // The chemical potential and its derivatives (names here should match those in the macros above)
+
126 scalarvalueType mu = modelVariablesList[1].scalarValue;
+
127 scalargradType mux = modelVariablesList[1].scalarGrad;
+
128 
+
129 // The homogenous free energy
+
130 scalarvalueType f_chem = fV;
+
131 
+
132 // The gradient free energy
+
133 scalarvalueType f_grad = constV(0.0);
+
134 
+
135 for (int i=0; i<dim; i++){
+
136  for (int j=0; j<dim; j++){
+
137  f_grad += constV(0.5*KcV)*cx[i]*cx[j];
+
138  }
+
139 }
+
140 
+
141 // The total free energy
+
142 total_energy_density = f_chem + f_grad;
+
143 
+
144 // Loop to step through each element of the vectorized arrays. Working with deal.ii
+
145 // developers to see if there is a more elegant way to do this.
+
146 assembler_lock.acquire ();
+
147 for (unsigned i=0; i<c.n_array_elements;i++){
+
148  if (c[i] > 1.0e-10){
+
149  this->energy+=total_energy_density[i]*JxW_value[i];
+
150  this->energy_components[0]+= f_chem[i]*JxW_value[i];
+
151  this->energy_components[1]+= f_grad[i]*JxW_value[i];
+
152  }
+
153 }
+
154 assembler_lock.release ();
+
155 }
+
156 
+
157 
+
158 
+
159 
+
modelResidual
Definition: model_variables.h:25
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
+
KcV
#define KcV
Definition: equations.h:37
+
fV
#define fV
Definition: equations.h:40
+
rcxV
#define rcxV
Definition: equations.h:47
+
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
+
constV
#define constV(a)
Definition: matrixFreePDE.h:67
+
rmuV
#define rmuV
Definition: equations.h:44
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
+
modelVariable
Definition: model_variables.h:4
+
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
+
rcV
#define rcV
Definition: equations.h:46
+
rmuxV
#define rmuxV
Definition: equations.h:45
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
+
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main.cc File Reference
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+
#include "../../include/dealIIheaders.h"
+#include "parameters.h"
+#include "../../src/models/coupled/generalized_model.h"
+#include "equations.h"
+#include "ICs_and_BCs.h"
+#include "../../src/models/coupled/generalized_model_functions.h"
+
+ + + +

+Functions

int main (int argc, char **argv)
 
+

Function Documentation

+ +
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int main (int argc,
char ** argv 
)
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+Macros

#define problemDIM   2
 
#define spanX   200.0
 
#define spanY   200.0
 
#define spanZ   100.0
 
#define subdivisionsX   1
 
#define subdivisionsY   1
 
#define subdivisionsZ   1
 
#define refineFactor   7
 
#define finiteElementDegree   1
 
#define timeStep   5.0e-3
 
#define timeFinal   10000.0
 
#define timeIncrements   2000000
 
#define writeOutput   true
 
#define outputCondition   "LIST"
 
#define numOutputs   10
 
#define outputList   {0,200,1000,2000,4000,20000,40000,100000,200000,400000,600000,2000000}
 
#define skipPrintSteps   10
 
#define calcEnergy   true
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define calcEnergy   true
+
+ +
+
+ +
+
+ + + + +
#define finiteElementDegree   1
+
+ +
+
+ +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "LIST"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {0,200,1000,2000,4000,20000,40000,100000,200000,400000,600000,2000000}
+
+ +
+
+ +
+
+ + + + +
#define problemDIM   2
+
+ +
+
+ +
+
+ + + + +
#define refineFactor   7
+
+ +
+
+ +
+
+ + + + +
#define skipPrintSteps   10
+
+ +
+
+ +
+
+ + + + +
#define spanX   200.0
+
+ +
+
+ +
+
+ + + + +
#define spanY   200.0
+
+ +
+
+ +
+
+ + + + +
#define spanZ   100.0
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsX   1
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsY   1
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsZ   1
+
+ +
+
+ +
+
+ + + + +
#define timeFinal   10000.0
+
+ +
+
+ +
+
+ + + + +
#define timeIncrements   2000000
+
+ +
+
+ +
+
+ + + + +
#define timeStep   5.0e-3
+
+ +
+
+ +
+
+ + + + +
#define writeOutput   true
+
+ +
+
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark1a_2parameters_8h_source.html b/html/_c_hi_ma_d__benchmark1a_2parameters_8h_source.html new file mode 100644 index 000000000..ad680ebab --- /dev/null +++ b/html/_c_hi_ma_d__benchmark1a_2parameters_8h_source.html @@ -0,0 +1,167 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark1a/parameters.h Source File + + + + + + + + + + +
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+
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parameters.h
+
+
+Go to the documentation of this file.
1 // Parameter list for the Cahn-Hilliard example application
+
2 // All strictly numerical parameters should be set in this file
+
3 
+
4 // =================================================================================
+
5 // Set the number of dimensions (1, 2, or 3 for a 1D, 2D, or 3D calculation)
+
6 // =================================================================================
+
7 #define problemDIM 2
+
8 
+
9 // =================================================================================
+
10 // Set the length of the domain in all three dimensions
+
11 // =================================================================================
+
12 // Each axes spans from zero to the specified length
+
13 #define spanX 200.0
+
14 #define spanY 200.0
+
15 #define spanZ 100.0
+
16 
+
17 // =================================================================================
+
18 // Set the element parameters
+
19 // =================================================================================
+
20 // The number of elements in each direction is 2^(refineFactor) * subdivisions
+
21 // For optimal performance, use refineFactor primarily to determine the element size
+
22 #define subdivisionsX 1
+
23 #define subdivisionsY 1
+
24 #define subdivisionsZ 1
+
25 #define refineFactor 7
+
26 
+
27 // Set the polynomial degree of the element (suggested values: 1 or 2)
+
28 #define finiteElementDegree 1
+
29 
+
30 // =================================================================================
+
31 // Set the time step parameters
+
32 // =================================================================================
+
33 // The size of the time step
+
34 #define timeStep 5.0e-3
+
35 
+
36 // The simulation ends when either timeFinal is reached or the number of time steps
+
37 // equals timeIncrements
+
38 #define timeFinal 10000.0
+
39 #define timeIncrements 2000000
+
40 
+
41 // =================================================================================
+
42 // Set the output parameters
+
43 // =================================================================================
+
44 // Each field in the problem will be output is writeOutput is set to "true"
+
45 #define writeOutput true
+
46 
+
47 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
48 // or "LIST")
+
49 #define outputCondition "LIST"
+
50 
+
51 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
52 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
53 #define numOutputs 10
+
54 
+
55 // User-defined list of time steps where the program should output. Only used if
+
56 // outputCondition is "LIST"
+
57 #define outputList {0,200,1000,2000,4000,20000,40000,100000,200000,400000,600000,2000000}
+
58 
+
59 // Status is printed to the screen every skipPrintSteps
+
60 #define skipPrintSteps 10
+
61 
+
62 // =================================================================================
+
63 // Set the flag determining if the total free energy is calculated for each output
+
64 // =================================================================================
+
65 #define calcEnergy true
+
66 
+
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ICs_and_BCs.h File Reference
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+ + + + + + +

+Classes

class  InitialCondition< dim >
 
class  InitialConditionVec< dim >
 
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark2a_2_i_cs__and___b_cs_8h_source.html b/html/_c_hi_ma_d__benchmark2a_2_i_cs__and___b_cs_8h_source.html new file mode 100644 index 000000000..e149d7840 --- /dev/null +++ b/html/_c_hi_ma_d__benchmark2a_2_i_cs__and___b_cs_8h_source.html @@ -0,0 +1,239 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark2a/ICs_and_BCs.h Source File + + + + + + + + + + +
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PRISMS PhaseField +  1.0 +
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+ + +
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+
+
ICs_and_BCs.h
+
+
+Go to the documentation of this file.
1 template <int dim>
+
2 class InitialCondition : public Function<dim>
+
3 {
+
4 public:
+
5  unsigned int index;
+
6  Vector<double> values;
+
7  InitialCondition (const unsigned int _index) : Function<dim>(1), index(_index) {
+
8  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
9  }
+
10  double value (const Point<dim> &p, const unsigned int component = 0) const
+
11  {
+
12  double scalar_IC = 0;
+
13 
+
14  // =====================================================================
+
15  // ENTER THE INITIAL CONDITIONS HERE FOR SCALAR FIELDS
+
16  // =====================================================================
+
17  // Enter the function describing conditions for the fields at point "p".
+
18  // Use "if" statements to set the initial condition for each variable
+
19  // according to its variable index.
+
20 
+
21  //Constants for initial conditions equations
+
22  double c_0 = 0.5;
+
23  double epsilon_c = 0.05;
+
24  double epsilon_n = 0.1;
+
25  double psi = 1.5;
+
26 
+
27  double dx=spanX/((double) subdivisionsX)/std::pow(2.0,refineFactor);
+
28  double x=p[0];
+
29  double y=p[1];
+
30 
+
31  // Initial condition for the concentration field
+
32  if (index == 0){
+
33  if (dim == 2){
+
34  scalar_IC = std::cos(0.105*x)*std::cos(0.11*y);
+
35  scalar_IC += std::cos(0.13*x)*std::cos(0.087*y)*std::cos(0.13*x)*std::cos(0.087*y);
+
36  scalar_IC += std::cos(0.025*x-0.15*y)*std::cos(0.07*x-0.02*y);
+
37  scalar_IC = c_0 + epsilon_c*scalar_IC;
+
38  }
+
39  else if (dim == 3) {
+
40  }
+
41 
+
42  }
+
43  // Initial condition for the chemical potential field
+
44  if (index == 1){
+
45  if (dim == 2){
+
46  scalar_IC = 0.0;
+
47  }
+
48  else if (dim == 3) {
+
49  }
+
50  }
+
51  // Initial condition for order parameters
+
52  if (index >= 2){
+
53  double j = ((double) index)-1.0;
+
54  if (dim == 2){
+
55  double term1;
+
56  double term2;
+
57  term1 = std::cos(0.01*j*x-4.0)*std::cos((0.007+0.01*j)*y);
+
58  term1 += std::cos((0.11+0.01*j)*x)*std::cos((0.11+0.01*j)*y);
+
59  term2 = std::cos((0.046+0.001*j)*x + (0.0405+0.001*j)*y)*std::cos((0.031+0.001*j)*x - (0.004+0.001*j)*y);
+
60  term2 = psi*term2*term2;
+
61  scalar_IC = term1 + term2;
+
62  scalar_IC = epsilon_n*(scalar_IC*scalar_IC);
+
63  }
+
64  else if (dim == 3) {
+
65  }
+
66  }
+
67 
+
68  // =====================================================================
+
69  return scalar_IC;
+
70  }
+
71 };
+
72 
+
73 template <int dim>
+
74 class InitialConditionVec : public Function<dim>
+
75 {
+
76 public:
+
77  unsigned int index;
+
78  //Vector<double> values;
+
79  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
+
80  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
81  }
+
82  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
+
83  {
+
84  // =====================================================================
+
85  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
+
86  // =====================================================================
+
87  // Enter the function describing conditions for the fields at point "p".
+
88  // Use "if" statements to set the initial condition for each variable
+
89  // according to its variable index.
+
90 
+
91 
+
92  // =====================================================================
+
93  }
+
94 };
+
95 
+
96 template <int dim>
+
97 void generalizedProblem<dim>::setBCs(){
+
98 
+
99  // =====================================================================
+
100  // ENTER THE BOUNDARY CONDITIONS HERE
+
101  // =====================================================================
+
102  // This function sets the BCs for the problem variables
+
103  // The function "inputBCs" should be called for each component of
+
104  // each variable and should be in numerical order. Four input arguments
+
105  // set the same BC on the entire boundary. Two plus two times the
+
106  // number of dimensions inputs sets separate BCs on each face of the domain.
+
107  // Inputs to "inputBCs":
+
108  // First input: variable number
+
109  // Second input: component number
+
110  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
+
111  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
+
112  // Odd inputs after the third: BC type
+
113  // Even inputs after the third: BC value
+
114  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
+
115  // two for the minimum of the second direction, etc.
+
116 
+
117  inputBCs(0,0,"ZERO_DERIVATIVE",0);
+
118  inputBCs(1,0,"ZERO_DERIVATIVE",0);
+
119  inputBCs(2,0,"ZERO_DERIVATIVE",0);
+
120  inputBCs(3,0,"ZERO_DERIVATIVE",0);
+
121  inputBCs(4,0,"ZERO_DERIVATIVE",0);
+
122  inputBCs(5,0,"ZERO_DERIVATIVE",0);
+
123 }
+
124 
+
125 
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
+
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:82
+
spanX
#define spanX
Definition: defaultValues.h:12
+
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
+
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
+
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
+
refineFactor
#define refineFactor
Definition: defaultValues.h:27
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
+
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:79
+
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
+
InitialCondition
Definition: ICs_and_BCs.h:2
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
+
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark2a_2equations_8h.html b/html/_c_hi_ma_d__benchmark2a_2equations_8h.html new file mode 100644 index 000000000..1be1c0cf1 --- /dev/null +++ b/html/_c_hi_ma_d__benchmark2a_2equations_8h.html @@ -0,0 +1,740 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark2a/equations.h File Reference + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+Macros
+
+
equations.h File Reference
+
+
+ +

Go to the source code of this file.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

+Macros

#define num_var   6
 
#define variable_name   {"c", "mu", "n1", "n2", "n3", "n4"}
 
#define variable_type   {"SCALAR","SCALAR","SCALAR","SCALAR","SCALAR","SCALAR"}
 
#define variable_eq_type   {"PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC"}
 
#define need_val   {true, false, true, true, true, true}
 
#define need_grad   {true, true, true, true, true, true}
 
#define need_hess   {false, false, false, false, false, false}
 
#define need_val_residual   {true, true, true, true, true, true}
 
#define need_grad_residual   {true, true, true, true, true, true}
 
#define McV   constV(5.0)
 
#define MnV   constV(5.0)
 
#define KnV   constV(3.0)
 
#define KcV   constV(3.0)
 
#define wV   constV(1.0)
 
#define alpha   constV(5.0)
 
#define faV   (constV(2.0)*(c-constV(0.3))*(c-constV(0.3)))
 
#define facV   (constV(4.0)*(c-constV(0.3)))
 
#define faccV   (constV(4.0))
 
#define fbV   (constV(2.0)*(c-constV(0.7))*(c-constV(0.7)))
 
#define fbcV   (constV(4.0)*(c-constV(0.7)))
 
#define fbccV   (constV(4.0))
 
#define hV   ( n1*n1*n1*(constV(6.0)*n1*n1-constV(15.0)*n1+constV(10.0)) + n2*n2*n2*(constV(6.0)*n2*n2-constV(15.0)*n2+constV(10.0)) + n3*n3*n3*(constV(6.0)*n3*n3-constV(15.0)*n3+constV(10.0)) + n4*n4*n4*(constV(6.0)*n4*n4-constV(15.0)*n4+constV(10.0)) )
 
#define hn1V   ( n1*n1*(constV(30.0)*n1*n1-constV(60.0)*n1+constV(30.0)) )
 
#define hn2V   ( n2*n2*(constV(30.0)*n2*n2-constV(60.0)*n2+constV(30.0)) )
 
#define hn3V   ( n3*n3*(constV(30.0)*n3*n3-constV(60.0)*n3+constV(30.0)) )
 
#define hn4V   ( n4*n4*(constV(30.0)*n4*n4-constV(60.0)*n4+constV(30.0)) )
 
#define gdwV   ( n1*n1*(constV(1.0)-n1)*(constV(1.0)-n1) + n2*n2*(constV(1.0)-n2)*(constV(1.0)-n2) +n3*n3*(constV(1.0)-n3)*(constV(1.0)-n3) + n4*n4*(constV(1.0)-n4)*(constV(1.0)-n4) )
 
#define gintV   ( alpha*(n1*n1*n2*n2 + n1*n1*n3*n3+ n1*n1*n4*n4 + n2*n2*n3*n3 + n2*n2*n4*n4 + n3*n3*n4*n4) )
 
#define gV   ( gdwV + gintV )
 
#define dgn1V   ( constV(2.0)*n1*(constV(1.0)-n1)*(constV(1.0)-constV(2.0)*n1) + constV(2.0)*alpha*n1*(n2*n2+n3*n3+n4*n4) )
 
#define dgn2V   ( constV(2.0)*n2*(constV(1.0)-n2)*(constV(1.0)-constV(2.0)*n2) + constV(2.0)*alpha*n2*(n1*n1+n3*n3+n4*n4) )
 
#define dgn3V   ( constV(2.0)*n3*(constV(1.0)-n3)*(constV(1.0)-constV(2.0)*n3) + constV(2.0)*alpha*n3*(n1*n1+n2*n2+n4*n4) )
 
#define dgn4V   ( constV(2.0)*n4*(constV(1.0)-n4)*(constV(1.0)-constV(2.0)*n4) + constV(2.0)*alpha*n4*(n1*n1+n2*n2+n3*n3) )
 
#define rn1V   ( n1 - constV(timeStep)*MnV*((fbV-faV)*hn1V + wV*dgn1V) )
 
#define rn2V   ( n2 - constV(timeStep)*MnV*((fbV-faV)*hn2V + wV*dgn2V) )
 
#define rn3V   ( n3 - constV(timeStep)*MnV*((fbV-faV)*hn3V + wV*dgn3V) )
 
#define rn4V   ( n4 - constV(timeStep)*MnV*((fbV-faV)*hn4V + wV*dgn4V) )
 
#define rn1xV   ( constV(-timeStep)*KnV*MnV*n1x )
 
#define rn2xV   ( constV(-timeStep)*KnV*MnV*n2x )
 
#define rn3xV   ( constV(-timeStep)*KnV*MnV*n3x )
 
#define rn4xV   ( constV(-timeStep)*KnV*MnV*n4x )
 
#define rmuV   ( (constV(1.0)-hV)*facV+hV*fbcV )
 
#define rmuxV   ( KcV*cx )
 
#define rcV   ( c )
 
#define rcxV   ( constV(-timeStep)*McV*mux )
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define alpha   constV(5.0)
+
+ +
+
+ +
+
+ + + + +
#define dgn1V   ( constV(2.0)*n1*(constV(1.0)-n1)*(constV(1.0)-constV(2.0)*n1) + constV(2.0)*alpha*n1*(n2*n2+n3*n3+n4*n4) )
+
+ +
+
+ +
+
+ + + + +
#define dgn2V   ( constV(2.0)*n2*(constV(1.0)-n2)*(constV(1.0)-constV(2.0)*n2) + constV(2.0)*alpha*n2*(n1*n1+n3*n3+n4*n4) )
+
+ +
+
+ +
+
+ + + + +
#define dgn3V   ( constV(2.0)*n3*(constV(1.0)-n3)*(constV(1.0)-constV(2.0)*n3) + constV(2.0)*alpha*n3*(n1*n1+n2*n2+n4*n4) )
+
+ +
+
+ +
+
+ + + + +
#define dgn4V   ( constV(2.0)*n4*(constV(1.0)-n4)*(constV(1.0)-constV(2.0)*n4) + constV(2.0)*alpha*n4*(n1*n1+n2*n2+n3*n3) )
+
+ +
+
+ +
+
+ + + + +
#define faccV   (constV(4.0))
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+ +
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+ +
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+ + + + +
#define facV   (constV(4.0)*(c-constV(0.3)))
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+ +
+
+ +
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+ + + + +
#define faV   (constV(2.0)*(c-constV(0.3))*(c-constV(0.3)))
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+ +
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+ +
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+ + + + +
#define fbccV   (constV(4.0))
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+ +
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+ + + + +
#define fbcV   (constV(4.0)*(c-constV(0.7)))
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#define fbV   (constV(2.0)*(c-constV(0.7))*(c-constV(0.7)))
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+ +
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+ +
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+ + + + +
#define gdwV   ( n1*n1*(constV(1.0)-n1)*(constV(1.0)-n1) + n2*n2*(constV(1.0)-n2)*(constV(1.0)-n2) +n3*n3*(constV(1.0)-n3)*(constV(1.0)-n3) + n4*n4*(constV(1.0)-n4)*(constV(1.0)-n4) )
+
+ +
+
+ +
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+ + + + +
#define gintV   ( alpha*(n1*n1*n2*n2 + n1*n1*n3*n3+ n1*n1*n4*n4 + n2*n2*n3*n3 + n2*n2*n4*n4 + n3*n3*n4*n4) )
+
+ +
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+ +
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+ + + + +
#define gV   ( gdwV + gintV )
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+ +
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+ +
+
+ + + + +
#define hn1V   ( n1*n1*(constV(30.0)*n1*n1-constV(60.0)*n1+constV(30.0)) )
+
+ +
+
+ +
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+ + + + +
#define hn2V   ( n2*n2*(constV(30.0)*n2*n2-constV(60.0)*n2+constV(30.0)) )
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+ +
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+ +
+
+ + + + +
#define hn3V   ( n3*n3*(constV(30.0)*n3*n3-constV(60.0)*n3+constV(30.0)) )
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+ +
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+ +
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+ + + + +
#define hn4V   ( n4*n4*(constV(30.0)*n4*n4-constV(60.0)*n4+constV(30.0)) )
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+ +
+
+ +
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+ + + + +
#define hV   ( n1*n1*n1*(constV(6.0)*n1*n1-constV(15.0)*n1+constV(10.0)) + n2*n2*n2*(constV(6.0)*n2*n2-constV(15.0)*n2+constV(10.0)) + n3*n3*n3*(constV(6.0)*n3*n3-constV(15.0)*n3+constV(10.0)) + n4*n4*n4*(constV(6.0)*n4*n4-constV(15.0)*n4+constV(10.0)) )
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#define KcV   constV(3.0)
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#define KnV   constV(3.0)
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#define McV   constV(5.0)
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#define MnV   constV(5.0)
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#define need_grad   {true, true, true, true, true, true}
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#define need_grad_residual   {true, true, true, true, true, true}
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#define need_hess   {false, false, false, false, false, false}
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#define need_val   {true, false, true, true, true, true}
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#define need_val_residual   {true, true, true, true, true, true}
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#define num_var   6
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#define rcV   ( c )
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#define rcxV   ( constV(-timeStep)*McV*mux )
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#define rmuV   ( (constV(1.0)-hV)*facV+hV*fbcV )
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#define rmuxV   ( KcV*cx )
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#define rn1V   ( n1 - constV(timeStep)*MnV*((fbV-faV)*hn1V + wV*dgn1V) )
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#define rn1xV   ( constV(-timeStep)*KnV*MnV*n1x )
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#define rn2V   ( n2 - constV(timeStep)*MnV*((fbV-faV)*hn2V + wV*dgn2V) )
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+ + + + +
#define rn2xV   ( constV(-timeStep)*KnV*MnV*n2x )
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+ +
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+ +
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+ + + + +
#define rn3V   ( n3 - constV(timeStep)*MnV*((fbV-faV)*hn3V + wV*dgn3V) )
+
+ +
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+ +
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+ + + + +
#define rn3xV   ( constV(-timeStep)*KnV*MnV*n3x )
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#define rn4V   ( n4 - constV(timeStep)*MnV*((fbV-faV)*hn4V + wV*dgn4V) )
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#define rn4xV   ( constV(-timeStep)*KnV*MnV*n4x )
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#define variable_eq_type   {"PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC"}
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#define variable_name   {"c", "mu", "n1", "n2", "n3", "n4"}
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#define variable_type   {"SCALAR","SCALAR","SCALAR","SCALAR","SCALAR","SCALAR"}
+
+ +
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+ +
+
+ + + + +
#define wV   constV(1.0)
+
+ +
+
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark2a_2equations_8h_source.html b/html/_c_hi_ma_d__benchmark2a_2equations_8h_source.html new file mode 100644 index 000000000..99332ea7a --- /dev/null +++ b/html/_c_hi_ma_d__benchmark2a_2equations_8h_source.html @@ -0,0 +1,351 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark2a/equations.h Source File + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+
equations.h
+
+
+Go to the documentation of this file.
1 // List of variables and residual equations for the coupled Allen-Cahn/Cahn-Hilliard example application
+
2 
+
3 // =================================================================================
+
4 // Define the variables in the model
+
5 // =================================================================================
+
6 // The number of variables
+
7 #define num_var 6
+
8 
+
9 // The names of the variables, whether they are scalars or vectors and whether the
+
10 // governing eqn for the variable is parabolic or elliptic
+
11 #define variable_name {"c", "mu", "n1", "n2", "n3", "n4"}
+
12 #define variable_type {"SCALAR","SCALAR","SCALAR","SCALAR","SCALAR","SCALAR"}
+
13 #define variable_eq_type {"PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC","PARABOLIC"}
+
14 
+
15 // Flags for whether the value, gradient, and Hessian are needed in the residual eqns
+
16 #define need_val {true, false, true, true, true, true}
+
17 #define need_grad {true, true, true, true, true, true}
+
18 #define need_hess {false, false, false, false, false, false}
+
19 
+
20 // Flags for whether the residual equation has a term multiplied by the test function
+
21 // (need_val_residual) and/or the gradient of the test function (need_grad_residual)
+
22 #define need_val_residual {true, true, true, true, true, true}
+
23 #define need_grad_residual {true, true, true, true, true, true}
+
24 
+
25 // =================================================================================
+
26 // Define the model parameters and the residual equations
+
27 // =================================================================================
+
28 // Parameters in the residual equations and expressions for the residual equations
+
29 // can be set here. For simple cases, the entire residual equation can be written
+
30 // here. For more complex cases with loops or conditional statements, residual
+
31 // equations (or parts of residual equations) can be written below in "residualRHS".
+
32 
+
33 // Cahn-Hilliard mobility
+
34 #define McV constV(5.0)
+
35 
+
36 // Allen-Cahn mobility
+
37 #define MnV constV(5.0)
+
38 
+
39 // Allen-Cahn gradient energy coefficient
+
40 #define KnV constV(3.0)
+
41 
+
42 // Cahn-Hilliard gradient energy coefficient
+
43 #define KcV constV(3.0)
+
44 
+
45 //Common coefficient for the double well and structural order parameter interaction terms
+
46 #define wV constV(1.0)
+
47 
+
48 //Coefficient order parameter for the structural interaction term only
+
49 #define alpha constV(5.0)
+
50 
+
51 // Free energy for each phase and their first and second derivatives
+
52 #define faV (constV(2.0)*(c-constV(0.3))*(c-constV(0.3)))
+
53 #define facV (constV(4.0)*(c-constV(0.3)))
+
54 #define faccV (constV(4.0))
+
55 #define fbV (constV(2.0)*(c-constV(0.7))*(c-constV(0.7)))
+
56 #define fbcV (constV(4.0)*(c-constV(0.7)))
+
57 #define fbccV (constV(4.0))
+
58 
+
59 // Interpolation function and its derivatives
+
60 #define hV ( n1*n1*n1*(constV(6.0)*n1*n1-constV(15.0)*n1+constV(10.0)) + n2*n2*n2*(constV(6.0)*n2*n2-constV(15.0)*n2+constV(10.0)) + n3*n3*n3*(constV(6.0)*n3*n3-constV(15.0)*n3+constV(10.0)) + n4*n4*n4*(constV(6.0)*n4*n4-constV(15.0)*n4+constV(10.0)) )
+
61 #define hn1V ( n1*n1*(constV(30.0)*n1*n1-constV(60.0)*n1+constV(30.0)) )
+
62 #define hn2V ( n2*n2*(constV(30.0)*n2*n2-constV(60.0)*n2+constV(30.0)) )
+
63 #define hn3V ( n3*n3*(constV(30.0)*n3*n3-constV(60.0)*n3+constV(30.0)) )
+
64 #define hn4V ( n4*n4*(constV(30.0)*n4*n4-constV(60.0)*n4+constV(30.0)) )
+
65 
+
66 //Combined double-well and interaction functions (function g) and its derivatives
+
67 //Double-well part
+
68 #define gdwV ( n1*n1*(constV(1.0)-n1)*(constV(1.0)-n1) + n2*n2*(constV(1.0)-n2)*(constV(1.0)-n2) +n3*n3*(constV(1.0)-n3)*(constV(1.0)-n3) + n4*n4*(constV(1.0)-n4)*(constV(1.0)-n4) )
+
69 //Interaction part
+
70 #define gintV ( alpha*(n1*n1*n2*n2 + n1*n1*n3*n3+ n1*n1*n4*n4 + n2*n2*n3*n3 + n2*n2*n4*n4 + n3*n3*n4*n4) )
+
71 //Combined function (g)
+
72 #define gV ( gdwV + gintV )
+
73 //Derivatives
+
74 #define dgn1V ( constV(2.0)*n1*(constV(1.0)-n1)*(constV(1.0)-constV(2.0)*n1) + constV(2.0)*alpha*n1*(n2*n2+n3*n3+n4*n4) )
+
75 #define dgn2V ( constV(2.0)*n2*(constV(1.0)-n2)*(constV(1.0)-constV(2.0)*n2) + constV(2.0)*alpha*n2*(n1*n1+n3*n3+n4*n4) )
+
76 #define dgn3V ( constV(2.0)*n3*(constV(1.0)-n3)*(constV(1.0)-constV(2.0)*n3) + constV(2.0)*alpha*n3*(n1*n1+n2*n2+n4*n4) )
+
77 #define dgn4V ( constV(2.0)*n4*(constV(1.0)-n4)*(constV(1.0)-constV(2.0)*n4) + constV(2.0)*alpha*n4*(n1*n1+n2*n2+n3*n3) )
+
78 
+
79 //CHANGES FOR CHAC BENCHMARK PROBLEM UP TO THIS POINT
+
80 
+
81 // Residual equations
+
82 #define rn1V ( n1 - constV(timeStep)*MnV*((fbV-faV)*hn1V + wV*dgn1V) )
+
83 #define rn2V ( n2 - constV(timeStep)*MnV*((fbV-faV)*hn2V + wV*dgn2V) )
+
84 #define rn3V ( n3 - constV(timeStep)*MnV*((fbV-faV)*hn3V + wV*dgn3V) )
+
85 #define rn4V ( n4 - constV(timeStep)*MnV*((fbV-faV)*hn4V + wV*dgn4V) )
+
86 #define rn1xV ( constV(-timeStep)*KnV*MnV*n1x )
+
87 #define rn2xV ( constV(-timeStep)*KnV*MnV*n2x )
+
88 #define rn3xV ( constV(-timeStep)*KnV*MnV*n3x )
+
89 #define rn4xV ( constV(-timeStep)*KnV*MnV*n4x )
+
90 #define rmuV ( (constV(1.0)-hV)*facV+hV*fbcV )
+
91 #define rmuxV ( KcV*cx )
+
92 #define rcV ( c )
+
93 #define rcxV ( constV(-timeStep)*McV*mux )
+
94 
+
95 
+
96 // =================================================================================
+
97 // residualRHS
+
98 // =================================================================================
+
99 // This function calculates the residual equations for each variable. It takes
+
100 // "modelVariablesList" as an input, which is a list of the value and derivatives of
+
101 // each of the variables at a specific quadrature point. The (x,y,z) location of
+
102 // that quadrature point is given by "q_point_loc". The function outputs
+
103 // "modelResidualsList", a list of the value and gradient terms of the residual for
+
104 // each residual equation. The index for each variable in these lists corresponds to
+
105 // the order it is defined at the top of this file (starting at 0).
+
106 template <int dim>
+
107 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
108  std::vector<modelResidual<dim> > & modelResidualsList,
+
109  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
110 
+
111 // The concentration and its derivatives (names here should match those in the macros above)
+
112 scalarvalueType c = modelVariablesList[0].scalarValue;
+
113 scalargradType cx = modelVariablesList[0].scalarGrad;
+
114 
+
115 // The chemical potential and its derivatives (names here should match those in the macros above)
+
116 scalargradType mux = modelVariablesList[1].scalarGrad;
+
117 
+
118 // The order parameters and their derivatives (names here should match those in the macros above)
+
119 scalarvalueType n1 = modelVariablesList[2].scalarValue;
+
120 scalargradType n1x = modelVariablesList[2].scalarGrad;
+
121 scalarvalueType n2 = modelVariablesList[3].scalarValue;
+
122 scalargradType n2x = modelVariablesList[3].scalarGrad;
+
123 scalarvalueType n3 = modelVariablesList[4].scalarValue;
+
124 scalargradType n3x = modelVariablesList[4].scalarGrad;
+
125 scalarvalueType n4 = modelVariablesList[5].scalarValue;
+
126 scalargradType n4x = modelVariablesList[5].scalarGrad;
+
127 
+
128 // Residuals for the equation to evolve the concentration (names here should match those in the macros above)
+
129 modelResidualsList[0].scalarValueResidual = rcV;
+
130 modelResidualsList[0].scalarGradResidual = rcxV;
+
131 modelResidualsList[1].scalarValueResidual = rmuV;
+
132 modelResidualsList[1].scalarGradResidual = rmuxV;
+
133 
+
134 // Residuals for the equation to evolve the order parameters (names here should match those in the macros above)
+
135 modelResidualsList[2].scalarValueResidual = rn1V;
+
136 modelResidualsList[2].scalarGradResidual = rn1xV;
+
137 modelResidualsList[3].scalarValueResidual = rn2V;
+
138 modelResidualsList[3].scalarGradResidual = rn2xV;
+
139 modelResidualsList[4].scalarValueResidual = rn3V;
+
140 modelResidualsList[4].scalarGradResidual = rn3xV;
+
141 modelResidualsList[5].scalarValueResidual = rn4V;
+
142 modelResidualsList[5].scalarGradResidual = rn4xV;
+
143 
+
144 }
+
145 
+
146 // =================================================================================
+
147 // residualLHS (needed only if at least one equation is elliptic)
+
148 // =================================================================================
+
149 // This function calculates the residual equations for the iterative solver for
+
150 // elliptic equations.for each variable. It takes "modelVariablesList" as an input,
+
151 // which is a list of the value and derivatives of each of the variables at a
+
152 // specific quadrature point. The (x,y,z) location of that quadrature point is given
+
153 // by "q_point_loc". The function outputs "modelRes", the value and gradient terms of
+
154 // for the left-hand-side of the residual equation for the iterative solver. The
+
155 // index for each variable in these lists corresponds to the order it is defined at
+
156 // the top of this file (starting at 0), not counting variables that have
+
157 // "need_val_LHS", "need_grad_LHS", and "need_hess_LHS" all set to "false". If there
+
158 // are multiple elliptic equations, conditional statements should be used to ensure
+
159 // that the correct residual is being submitted. The index of the field being solved
+
160 // can be accessed by "this->currentFieldIndex".
+
161 template <int dim>
+
162 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
163  modelResidual<dim> & modelRes,
+
164  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
165 
+
166 }
+
167 
+
168 // =================================================================================
+
169 // energyDensity (needed only if calcEnergy == true)
+
170 // =================================================================================
+
171 // This function integrates the free energy density across the computational domain.
+
172 // It takes "modelVariablesList" as an input, which is a list of the value and
+
173 // derivatives of each of the variables at a specific quadrature point. It also
+
174 // takes the mapped quadrature weight, "JxW_value", as an input. The (x,y,z) location
+
175 // of the quadrature point is given by "q_point_loc". The weighted value of the
+
176 // energy density is added to "energy" variable and the components of the energy
+
177 // density are added to the "energy_components" variable (index 0: chemical energy,
+
178 // index 1: gradient energy, index 2: elastic energy).
+
179 template <int dim>
+
180 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVariablesList,
+
181  const dealii::VectorizedArray<double> & JxW_value,
+
182  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
+
183 
+
184 // The concentration and its derivatives (names here should match those in the macros above)
+
185 scalarvalueType c = modelVariablesList[0].scalarValue;
+
186 scalargradType cx = modelVariablesList[0].scalarGrad;
+
187 
+
188 // The order parameter and its derivatives (names here should match those in the macros above)
+
189 scalarvalueType n1 = modelVariablesList[2].scalarValue;
+
190 scalargradType n1x = modelVariablesList[2].scalarGrad;
+
191 scalarvalueType n2 = modelVariablesList[3].scalarValue;
+
192 scalargradType n2x = modelVariablesList[3].scalarGrad;
+
193 scalarvalueType n3 = modelVariablesList[4].scalarValue;
+
194 scalargradType n3x = modelVariablesList[4].scalarGrad;
+
195 scalarvalueType n4 = modelVariablesList[5].scalarValue;
+
196 scalargradType n4x = modelVariablesList[5].scalarGrad;
+
197 
+
198 // The homogenous free energy
+
199 scalarvalueType f_chem = (constV(1.0)-hV)*faV + hV*fbV + wV*gV;
+
200 
+
201 // The gradient free energy
+
202 scalarvalueType f_grad = constV(0.5)*KnV*(n1x*n1x+n2x*n2x+n3x*n3x+n4x*n4x) + constV(0.5)*KcV*cx*cx;
+
203 
+
204 // The total free energy
+
205 scalarvalueType total_energy_density;
+
206 total_energy_density = f_chem + f_grad;
+
207 
+
208 // Loop to step through each element of the vectorized arrays. Working with deal.ii
+
209 // developers to see if there is a more elegant way to do this.
+
210 assembler_lock.acquire ();
+
211 for (unsigned i=0; i<c.n_array_elements;i++){
+
212  if (c[i] > 1.0e-10){
+
213  this->energy+=total_energy_density[i]*JxW_value[i];
+
214  this->energy_components[0]+= f_chem[i]*JxW_value[i];
+
215  this->energy_components[1]+= f_grad[i]*JxW_value[i];
+
216  }
+
217 }
+
218 assembler_lock.release ();
+
219 }
+
220 
+
221 
+
222 
+
223 
+
faV
#define faV
Definition: equations.h:52
+
modelResidual
Definition: model_variables.h:25
+
rcxV
#define rcxV
Definition: equations.h:93
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
+
rn2V
#define rn2V
Definition: equations.h:83
+
rn3xV
#define rn3xV
Definition: equations.h:88
+
wV
#define wV
Definition: equations.h:46
+
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
+
constV
#define constV(a)
Definition: matrixFreePDE.h:67
+
rn1V
#define rn1V
Definition: equations.h:82
+
KnV
#define KnV
Definition: equations.h:40
+
rn3V
#define rn3V
Definition: equations.h:84
+
gV
#define gV
Definition: equations.h:72
+
rn2xV
#define rn2xV
Definition: equations.h:87
+
rmuV
#define rmuV
Definition: equations.h:90
+
rn1xV
#define rn1xV
Definition: equations.h:86
+
rcV
#define rcV
Definition: equations.h:92
+
fbV
#define fbV
Definition: equations.h:55
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
+
rmuxV
#define rmuxV
Definition: equations.h:91
+
rn4xV
#define rn4xV
Definition: equations.h:89
+
modelVariable
Definition: model_variables.h:4
+
KcV
#define KcV
Definition: equations.h:43
+
hV
#define hV
Definition: equations.h:60
+
rn4V
#define rn4V
Definition: equations.h:85
+
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
+
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+Functions
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main.cc File Reference
+
+
+
#include "../../include/dealIIheaders.h"
+#include "parameters.h"
+#include "../../src/models/coupled/generalized_model.h"
+#include "equations.h"
+#include "ICs_and_BCs.h"
+#include "../../src/models/coupled/generalized_model_functions.h"
+
+ + + +

+Functions

int main (int argc, char **argv)
 
+

Function Documentation

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int main (int argc,
char ** argv 
)
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PRISMS PhaseField +  1.0 +
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parameters.h File Reference
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Go to the source code of this file.

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+Macros

#define problemDIM   2
 
#define spanX   200.0
 
#define spanY   200.0
 
#define spanZ   200.0
 
#define subdivisionsX   3
 
#define subdivisionsY   3
 
#define subdivisionsZ   3
 
#define refineFactor   6
 
#define finiteElementDegree   1
 
#define hAdaptivity   false
 
#define maxRefinementLevel   (refineFactor)
 
#define minRefinementLevel   (0)
 
#define refineCriterionFields   {0,2,3,4,5}
 
#define refineWindowMax   {0.65,0.999,0.999,0.999,0.999}
 
#define refineWindowMin   {0.35,0.001,0.001,0.001,0.001}
 
#define skipRemeshingSteps   100
 
#define timeStep   (1.0e-3)
 
#define timeFinal   10000.0
 
#define timeIncrements   20000
 
#define writeOutput   true
 
#define outputCondition   "LIST"
 
#define numOutputs   10
 
#define outputList   {0, 1000, 5000, 10000, 20000}
 
#define skipPrintSteps   1000
 
#define calcEnergy   true
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define calcEnergy   true
+
+ +
+
+ +
+
+ + + + +
#define finiteElementDegree   1
+
+ +
+
+ +
+
+ + + + +
#define hAdaptivity   false
+
+ +
+
+ +
+
+ + + + +
#define maxRefinementLevel   (refineFactor)
+
+ +
+
+ +
+
+ + + + +
#define minRefinementLevel   (0)
+
+ +
+
+ +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "LIST"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {0, 1000, 5000, 10000, 20000}
+
+ +
+
+ +
+
+ + + + +
#define problemDIM   2
+
+ +
+
+ +
+
+ + + + +
#define refineCriterionFields   {0,2,3,4,5}
+
+ +
+
+ +
+
+ + + + +
#define refineFactor   6
+
+ +
+
+ +
+
+ + + + +
#define refineWindowMax   {0.65,0.999,0.999,0.999,0.999}
+
+ +
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+
+ + + + +
#define refineWindowMin   {0.35,0.001,0.001,0.001,0.001}
+
+ +
+
+ +
+
+ + + + +
#define skipPrintSteps   1000
+
+ +
+
+ +
+
+ + + + +
#define skipRemeshingSteps   100
+
+ +
+
+ +
+
+ + + + +
#define spanX   200.0
+
+ +
+
+ +
+
+ + + + +
#define spanY   200.0
+
+ +
+
+ +
+
+ + + + +
#define spanZ   200.0
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsX   3
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsY   3
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsZ   3
+
+ +
+
+ +
+
+ + + + +
#define timeFinal   10000.0
+
+ +
+
+ +
+
+ + + + +
#define timeIncrements   20000
+
+ +
+
+ +
+
+ + + + +
#define timeStep   (1.0e-3)
+
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#define writeOutput   true
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+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_c_hi_ma_d__benchmark2a_2parameters_8h_source.html b/html/_c_hi_ma_d__benchmark2a_2parameters_8h_source.html new file mode 100644 index 000000000..9c22b8b79 --- /dev/null +++ b/html/_c_hi_ma_d__benchmark2a_2parameters_8h_source.html @@ -0,0 +1,193 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/CHiMaD_benchmark2a/parameters.h Source File + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+
parameters.h
+
+
+Go to the documentation of this file.
1 // Parameter list for the coupled Allen-Cahn/Cahn-Hilliard example application
+
2 // All strictly numerical parameters should be set in this file
+
3 
+
4 // =================================================================================
+
5 // Set the number of dimensions (1, 2, or 3 for a 1D, 2D, or 3D calculation)
+
6 // =================================================================================
+
7 #define problemDIM 2
+
8 
+
9 // =================================================================================
+
10 // Set the length of the domain in all three dimensions
+
11 // =================================================================================
+
12 // Each axes spans from zero to the specified length
+
13 #define spanX 200.0
+
14 #define spanY 200.0
+
15 #define spanZ 200.0
+
16 
+
17 //#define t_domain true
+
18 
+
19 // =================================================================================
+
20 // Set the element parameters
+
21 // =================================================================================
+
22 // The number of elements in each direction is 2^(refineFactor) * subdivisions
+
23 // For optimal performance, use refineFactor primarily to determine the element size
+
24 #define subdivisionsX 3
+
25 #define subdivisionsY 3
+
26 #define subdivisionsZ 3
+
27 #define refineFactor 6
+
28 
+
29 // Set the polynomial degree of the element (suggested values: 1 or 2)
+
30 #define finiteElementDegree 1
+
31 
+
32 // =================================================================================
+
33 // Set the adaptive mesh refinement parameters
+
34 // =================================================================================
+
35 // Set the flag determining if adaptive meshing is activated
+
36 #define hAdaptivity false
+
37 
+
38 // Set the maximum and minimum level of refinement
+
39 #define maxRefinementLevel (refineFactor)
+
40 #define minRefinementLevel (0)
+
41 
+
42 // Set the fields used to determine the refinement. Fields determined by the order
+
43 // declared in "equations.h", starting at zero
+
44 #define refineCriterionFields {0,2,3,4,5}
+
45 
+
46 // Set the maximum and minimum value of the fields where the mesh should be refined
+
47 #define refineWindowMax {0.65,0.999,0.999,0.999,0.999}
+
48 #define refineWindowMin {0.35,0.001,0.001,0.001,0.001}
+
49 
+
50 // Set the number of time steps between remeshing operations
+
51 #define skipRemeshingSteps 100
+
52 
+
53 // =================================================================================
+
54 // Set the time step parameters
+
55 // =================================================================================
+
56 // The size of the time step
+
57 #define timeStep (1.0e-3)
+
58 
+
59 // The simulation ends when either timeFinal is reached or the number of time steps
+
60 // equals timeIncrements
+
61 #define timeFinal 10000.0
+
62 #define timeIncrements 20000
+
63 
+
64 // =================================================================================
+
65 // Set the output parameters
+
66 // =================================================================================
+
67 // Each field in the problem will be output is writeOutput is set to "true"
+
68 #define writeOutput true
+
69 
+
70 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
71 // or "LIST")
+
72 #define outputCondition "LIST"
+
73 
+
74 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
75 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
76 #define numOutputs 10
+
77 
+
78 // User-defined list of time steps where the program should output. Only used if
+
79 // outputCondition is "LIST"
+
80 #define outputList {0, 1000, 5000, 10000, 20000}
+
81 
+
82 #define skipPrintSteps 1000
+
83 
+
84 // =================================================================================
+
85 // Set the flag determining if the total free energy is calculated for each output
+
86 // =================================================================================
+
87 #define calcEnergy true
+
88 
+
89 
+
90 
+
91 
+
92 
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/_fickian_8h_source.html b/html/_fickian_8h_source.html index c39f00a33..ba2855878 100644 --- a/html/_fickian_8h_source.html +++ b/html/_fickian_8h_source.html @@ -160,8 +160,8 @@
68  scalargradType cx = cVals.get_gradient(q);
69 
70  //submit residual value
-
71  cVals.submit_value(rcV,q);
-
72  cVals.submit_gradient(rcxV,q);
+
71  cVals.submit_value(rcV,q);
+
72  cVals.submit_gradient(rcxV,q);
73  }
74 
75  //integrate values
@@ -170,14 +170,14 @@
78 }
79 
80 #endif
+
rcxV
#define rcxV
Definition: residuals.h:12
MatrixFreePDE
Definition: matrixFreePDE.h:85
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
rcV
#define rcV
Definition: residuals.h:11
FickianProblem::FickianProblem
FickianProblem()
Definition: Fickian.h:28
FickianProblem
Definition: Fickian.h:10
FickianProblem::applyInitialConditions
void applyInitialConditions()
typeScalar
dealii::FEEvaluation< problemDIM, finiteElementDegree, finiteElementDegree+1, 1, double > typeScalar
Definition: matrixFreePDE.h:27
-
rcxV
#define rcxV
Definition: residuals.h:12
+
rcV
#define rcV
Definition: residuals.h:11
FickianProblem::getRHS
void getRHS(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range) const
Definition: Fickian.h:44
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
diff --git a/html/_p_library_8cc.html b/html/_p_library_8cc.html index 365fdf394..3fa376af9 100644 --- a/html/_p_library_8cc.html +++ b/html/_p_library_8cc.html @@ -4,7 +4,7 @@ -PRISMS PhaseField: phaseField_dev/applications/_precipitateEvolution_pfunction/PLibrary/PLibrary.cc File Reference +PRISMS PhaseField: phaseField_dev/applications/precipitateEvolution_pfunction/PLibrary/PLibrary.cc File Reference @@ -82,7 +82,7 @@
@@ -93,15 +93,15 @@
PLibrary.cc File Reference
-
#include "../../_precipitateEvolution_pfunction/PLibrary/PLibrary.hh"
-#include <cstring>
+
#include <cstring>
#include <stdexcept>
-#include "../../_precipitateEvolution_pfunction/PLibrary/pfunct_faV.hh"
-#include "../../_precipitateEvolution_pfunction/PLibrary/pfunct_fbV.hh"
-#include "../../_precipitateEvolution_pfunction/PLibrary/pfunct_McV.hh"
-#include "../../_precipitateEvolution_pfunction/PLibrary/pfunct_Mn1V.hh"
-#include "../../_precipitateEvolution_pfunction/PLibrary/pfunct_Mn2V.hh"
-#include "../../_precipitateEvolution_pfunction/PLibrary/pfunct_Mn3V.hh"
+#include "pfunct_faV.hh"
+#include "pfunct_fbV.hh"
+#include "pfunct_McV.hh"
+#include "pfunct_Mn1V.hh"
+#include "pfunct_Mn2V.hh"
+#include "pfunct_Mn3V.hh"
+#include "PLibrary.hh"
diff --git a/html/allen_cahn_2_i_cs__and___b_cs_8h_source.html b/html/allen_cahn_2_i_cs__and___b_cs_8h_source.html index 6de5bea76..b351d885e 100644 --- a/html/allen_cahn_2_i_cs__and___b_cs_8h_source.html +++ b/html/allen_cahn_2_i_cs__and___b_cs_8h_source.html @@ -124,76 +124,77 @@
32  if (dist < rad[i]){
33  scalar_IC = 1.0;
34  }
-
35  };
-
36 
-
37  // =====================================================================
-
38  return scalar_IC;
-
39  }
-
40 };
-
41 
-
42 template <int dim>
-
43 class InitialConditionVec : public Function<dim>
-
44 {
-
45 public:
-
46  unsigned int index;
-
47  //Vector<double> values;
-
48  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
-
49  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
-
50  }
-
51  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
-
52  {
-
53  // =====================================================================
-
54  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
-
55  // =====================================================================
-
56  // Enter the function describing conditions for the fields at point "p".
-
57  // Use "if" statements to set the initial condition for each variable
-
58  // according to its variable index.
-
59 
+
35 
+
36  };
+
37 
+
38  // =====================================================================
+
39  return scalar_IC;
+
40  }
+
41 };
+
42 
+
43 template <int dim>
+
44 class InitialConditionVec : public Function<dim>
+
45 {
+
46 public:
+
47  unsigned int index;
+
48  //Vector<double> values;
+
49  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
+
50  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
51  }
+
52  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
+
53  {
+
54  // =====================================================================
+
55  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
+
56  // =====================================================================
+
57  // Enter the function describing conditions for the fields at point "p".
+
58  // Use "if" statements to set the initial condition for each variable
+
59  // according to its variable index.
60 
-
61  // =====================================================================
-
62  }
-
63 };
-
64 
-
65 template <int dim>
-
66 void generalizedProblem<dim>::setBCs(){
-
67  // =====================================================================
-
68  // ENTER THE BOUNDARY CONDITIONS HERE
-
69  // =====================================================================
-
70  // This function sets the BCs for the problem variables
-
71  // The function "inputBCs" should be called for each component of
-
72  // each variable and should be in numerical order. Four input arguments
-
73  // set the same BC on the entire boundary. Two plus two times the
-
74  // number of dimensions inputs sets separate BCs on each face of the domain.
-
75  // Inputs to "inputBCs":
-
76  // First input: variable number
-
77  // Second input: component number
-
78  // Third input: BC type (options are "ZERO_DERIVATIVE" and "DIRICHLET")
-
79  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
-
80  // Odd inputs after the third: BC type
-
81  // Even inputs after the third: BC value
-
82  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
-
83  // two for the minimum of the second direction, etc.
-
84 
-
85  inputBCs(0,0,"ZERO_DERIVATIVE",0);
-
86 
-
87  // =====================================================================
-
88 
-
89 }
-
90 
+
61 
+
62  // =====================================================================
+
63  }
+
64 };
+
65 
+
66 template <int dim>
+
67 void generalizedProblem<dim>::setBCs(){
+
68  // =====================================================================
+
69  // ENTER THE BOUNDARY CONDITIONS HERE
+
70  // =====================================================================
+
71  // This function sets the BCs for the problem variables
+
72  // The function "inputBCs" should be called for each component of
+
73  // each variable and should be in numerical order. Four input arguments
+
74  // set the same BC on the entire boundary. Two plus two times the
+
75  // number of dimensions inputs sets separate BCs on each face of the domain.
+
76  // Inputs to "inputBCs":
+
77  // First input: variable number
+
78  // Second input: component number
+
79  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
+
80  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
+
81  // Odd inputs after the third: BC type
+
82  // Even inputs after the third: BC value
+
83  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
+
84  // two for the minimum of the second direction, etc.
+
85 
+
86  inputBCs(0,0,"ZERO_DERIVATIVE",0);
+
87 
+
88  // =====================================================================
+
89 
+
90 }
91 
-
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:46
-
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:51
+
92 
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
+
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:52
spanX
#define spanX
Definition: defaultValues.h:12
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
spanY
#define spanY
Definition: defaultValues.h:17
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
refineFactor
#define refineFactor
Definition: defaultValues.h:27
-
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:66
-
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:48
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
+
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:49
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
InitialCondition
Definition: ICs_and_BCs.h:2
-
InitialConditionVec
Definition: ICs_and_BCs.h:43
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
spanZ
#define spanZ
Definition: defaultValues.h:22
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
diff --git a/html/allen_cahn_2equations_8h.html b/html/allen_cahn_2equations_8h.html index 388da031f..b364fbbed 100644 --- a/html/allen_cahn_2equations_8h.html +++ b/html/allen_cahn_2equations_8h.html @@ -123,9 +123,9 @@ - + - +

Namespaces

 
#define fnV   (4.0*n*(n-1.0)*(n-0.5))
 
#define rnV   (n-constV(timeStep*MnV)*fnV)
#define rnV   (n-constV(timeStep*MnV)*fnV)
 
#define rnxV   (constV(-timeStep*KnV*MnV)*nx)
#define rnxV   (constV(-timeStep*KnV*MnV)*nx)
 

Macro Definition Documentation

@@ -254,7 +254,7 @@

Macro Definition Documentation

- +
#define rnV   (n-constV(timeStep*MnV)*fnV)#define rnV   (n-constV(timeStep*MnV)*fnV)
@@ -266,7 +266,7 @@

Macro Definition Documentation

- +
#define rnxV   (constV(-timeStep*KnV*MnV)*nx)#define rnxV   (constV(-timeStep*KnV*MnV)*nx)
diff --git a/html/allen_cahn_2equations_8h_source.html b/html/allen_cahn_2equations_8h_source.html index 0e92860b7..6c1b7fe67 100644 --- a/html/allen_cahn_2equations_8h_source.html +++ b/html/allen_cahn_2equations_8h_source.html @@ -147,8 +147,8 @@
55 // each residual equation. The index for each variable in these lists corresponds to
56 // the order it is defined at the top of this file (starting at 0).
57 template <int dim>
-
58 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim>> & modelVariablesList,
-
59  std::vector<modelResidual<dim>> & modelResidualsList,
+
58 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
59  std::vector<modelResidual<dim> > & modelResidualsList,
60  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
61 
62 // The order parameter and its derivatives (names here should match those in the macros above)
@@ -178,7 +178,7 @@
86 // that the correct residual is being submitted. The index of the field being solved
87 // can be accessed by "this->currentFieldIndex".
88 template <int dim>
-
89 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim>> & modelVarList,
+
89 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVarList,
90  modelResidual<dim> & modelRes,
91  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
92 }
@@ -195,7 +195,7 @@
103 // density are added to the "energy_components" variable (index 0: chemical energy,
104 // index 1: gradient energy, index 2: elastic energy).
105 template <int dim>
-
106 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim>> & modelVarList,
+
106 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVarList,
107  const dealii::VectorizedArray<double> & JxW_value,
108  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
109 scalarvalueType total_energy_density = constV(0.0);
@@ -236,18 +236,18 @@
144 
145 
146 
-
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim >> &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
modelResidual
Definition: model_variables.h:25
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim >> &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
constV
#define constV(a)
Definition: matrixFreePDE.h:67
KnV
#define KnV
Definition: equations.h:37
fV
#define fV
Definition: equations.h:40
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
modelVariable
Definition: model_variables.h:4
rnV
#define rnV
Definition: equations.h:44
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
-
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim >> &modelVarList, std::vector< modelResidual< dim >> &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
rnxV
#define rnxV
Definition: equations.h:45
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
diff --git a/html/allen_cahn_2parameters_8h.html b/html/allen_cahn_2parameters_8h.html index 77290a090..1b57376e5 100644 --- a/html/allen_cahn_2parameters_8h.html +++ b/html/allen_cahn_2parameters_8h.html @@ -123,8 +123,14 @@   #define writeOutput   true   -#define skipOutputSteps   1000 -  +#define outputCondition   "EQUAL_SPACING" +  +#define numOutputs   10 +  +#define outputList   {} +  +#define skipPrintSteps   10 +  #define calcEnergy   true   @@ -151,6 +157,42 @@

Macro Definition Documentation

+
+
+ +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "EQUAL_SPACING"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {}
+
+
@@ -177,12 +219,12 @@

Macro Definition Documentation

- +
- +
#define skipOutputSteps   1000#define skipPrintSteps   10
diff --git a/html/allen_cahn_2parameters_8h_source.html b/html/allen_cahn_2parameters_8h_source.html index 24c945595..d082d683e 100644 --- a/html/allen_cahn_2parameters_8h_source.html +++ b/html/allen_cahn_2parameters_8h_source.html @@ -136,20 +136,32 @@
44 // Each field in the problem will be output is writeOutput is set to "true"
45 #define writeOutput true
46 
-
47 // Output files are written every skipOutputSteps time steps
-
48 #define skipOutputSteps 1000
-
49 
-
50 // =================================================================================
-
51 // Set the flag determining if the total free energy is calculated for each output
-
52 // =================================================================================
-
53 #define calcEnergy true
+
47 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
48 // or "LIST")
+
49 #define outputCondition "EQUAL_SPACING"
+
50 
+
51 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
52 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
53 #define numOutputs 10
54 
-
55 
-
56 
-
57 
+
55 // User-defined list of time steps where the program should output. Only used if
+
56 // outputCondition is "LIST"
+
57 #define outputList {}
58 
-
59 
-
60 
+
59 // Status is printed to the screen every skipPrintSteps
+
60 #define skipPrintSteps 10
+
61 
+
62 // =================================================================================
+
63 // Set the flag determining if the total free energy is calculated for each output
+
64 // =================================================================================
+
65 #define calcEnergy true
+
66 
+
67 
+
68 
+
69 
+
70 
+
71 
+
72 
diff --git a/html/allen_cahn__pfield_2_i_cs__and___b_cs_8h.html b/html/allen_cahn__pfield_2_i_cs__and___b_cs_8h.html new file mode 100644 index 000000000..607ecded4 --- /dev/null +++ b/html/allen_cahn__pfield_2_i_cs__and___b_cs_8h.html @@ -0,0 +1,188 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/allenCahn_pfield/ICs_and_BCs.h File Reference + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+Classes | +Macros
+
+
ICs_and_BCs.h File Reference
+
+
+ +

Go to the source code of this file.

+ + + + + + +

+Classes

class  InitialCondition< dim >
 
class  InitialConditionVec< dim >
 
+ + + + + + + + + + + +

+Macros

#define enablePFields   true
 
#define loadICs   {true}
 
#define loadSerialFile   {false}
 
#define loadFileName   {"parallel_input"}
 
#define loadFieldName   {"n"}
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define enablePFields   true
+
+ +
+
+ +
+
+ + + + +
#define loadFieldName   {"n"}
+
+ +
+
+ +
+
+ + + + +
#define loadFileName   {"parallel_input"}
+
+ +
+
+ +
+
+ + + + +
#define loadICs   {true}
+
+ +
+
+ +
+
+ + + + +
#define loadSerialFile   {false}
+
+ +
+
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/allen_cahn__pfield_2_i_cs__and___b_cs_8h_source.html b/html/allen_cahn__pfield_2_i_cs__and___b_cs_8h_source.html new file mode 100644 index 000000000..1179b936e --- /dev/null +++ b/html/allen_cahn__pfield_2_i_cs__and___b_cs_8h_source.html @@ -0,0 +1,233 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/allenCahn_pfield/ICs_and_BCs.h Source File + + + + + + + + + + +
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PRISMS PhaseField +  1.0 +
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ICs_and_BCs.h
+
+
+Go to the documentation of this file.
1 // Initial conditions and boundary conditions
+
2 
+
3 // =================================================================================
+
4 // Determine what (if any) files to load for the initial conditions
+
5 // =================================================================================
+
6 // Set whether PFields are enables (requires PRISMS IntegrationTools)
+
7 #define enablePFields true
+
8 
+
9 // Set whether the initial conditions are loaded from file for each variable
+
10 #define loadICs {true}
+
11 
+
12 // Set whether the file is serial or a series of parallel files
+
13 #define loadSerialFile {false}
+
14 
+
15 // Set the name of the input files
+
16 #define loadFileName {"parallel_input"}
+
17 
+
18 // Set the field names in the input files
+
19 #define loadFieldName {"n"}
+
20 
+
21 // =================================================================================
+
22 
+
23 template <int dim>
+
24 class InitialCondition : public Function<dim>
+
25 {
+
26 public:
+
27  unsigned int index;
+
28  Vector<double> values;
+
29 
+
30 
+
31  InitialCondition (const unsigned int _index) : Function<dim>(1), index(_index) {
+
32  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
33 
+
34  }
+
35  double value (const Point<dim> &p, const unsigned int component = 0) const
+
36  {
+
37  double scalar_IC;
+
38  // =====================================================================
+
39  // ENTER THE INITIAL CONDITIONS HERE FOR SCALAR FIELDS
+
40  // =====================================================================
+
41  // Enter the function describing conditions for the fields at point "p".
+
42  // Use "if" statements to set the initial condition for each variable
+
43  // according to its variable index.
+
44 
+
45  double dx=spanX/((double) subdivisionsX)/std::pow(2.0,refineFactor);
+
46  double x_loc[12] = {0.1, 0.8, 0.5, 0.4, 0.3, 0.8, 0.9, 0.0, 0.1, 0.5, 1, 0.7};
+
47  double y_loc[12] = {0.3, 0.7, 0.2, 0.4, 0.9, 0.1, 0.5, 0.1, 0.6, 0.6, 1, 0.95};
+
48  double rad[12] = {12, 14, 19, 16, 11, 12, 17, 15, 20, 10, 11, 14};
+
49  double dist;
+
50  scalar_IC = 0;
+
51  for (unsigned int i=0; i<12; i++){
+
52  #if problemDIM == 2
+
53  dist = p.distance(Point<dim>(x_loc[i]*spanX,y_loc[i]*spanY));
+
54  #elif problemDIM == 3
+
55  dist = p.distance(Point<dim>(x_loc[i]*spanX,y_loc[i]*spanY,0.5*spanZ));
+
56  #endif
+
57  if (dist < rad[i]){
+
58  scalar_IC = 1.0;
+
59  }
+
60 
+
61  }
+
62 
+
63  // =====================================================================
+
64  return scalar_IC;
+
65  }
+
66 };
+
67 
+
68 template <int dim>
+
69 class InitialConditionVec : public Function<dim>
+
70 {
+
71 public:
+
72  unsigned int index;
+
73  //Vector<double> values;
+
74  InitialConditionVec (const unsigned int _index) : Function<dim>(dim), index(_index) {
+
75  std::srand(Utilities::MPI::this_mpi_process(MPI_COMM_WORLD)+1);
+
76  }
+
77  void vector_value (const Point<dim> &p,Vector<double> &vector_IC) const
+
78  {
+
79  // =====================================================================
+
80  // ENTER THE INITIAL CONDITIONS HERE FOR VECTOR FIELDS
+
81  // =====================================================================
+
82  // Enter the function describing conditions for the fields at point "p".
+
83  // Use "if" statements to set the initial condition for each variable
+
84  // according to its variable index.
+
85 
+
86 
+
87  // =====================================================================
+
88  }
+
89 };
+
90 
+
91 template <int dim>
+
92 void generalizedProblem<dim>::setBCs(){
+
93  // =====================================================================
+
94  // ENTER THE BOUNDARY CONDITIONS HERE
+
95  // =====================================================================
+
96  // This function sets the BCs for the problem variables
+
97  // The function "inputBCs" should be called for each component of
+
98  // each variable and should be in numerical order. Four input arguments
+
99  // set the same BC on the entire boundary. Two plus two times the
+
100  // number of dimensions inputs sets separate BCs on each face of the domain.
+
101  // Inputs to "inputBCs":
+
102  // First input: variable number
+
103  // Second input: component number
+
104  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
+
105  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
+
106  // Odd inputs after the third: BC type
+
107  // Even inputs after the third: BC value
+
108  // Face numbering: starts at zero with the minimum of the first direction, one for the maximum of the first direction
+
109  // two for the minimum of the second direction, etc.
+
110 
+
111  inputBCs(0,0,"ZERO_DERIVATIVE",0);
+
112 
+
113  // =====================================================================
+
114 
+
115 }
+
116 
+
117 
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
+
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:77
+
spanX
#define spanX
Definition: defaultValues.h:12
+
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:31
+
spanY
#define spanY
Definition: defaultValues.h:17
+
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:35
+
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
+
refineFactor
#define refineFactor
Definition: defaultValues.h:27
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
+
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:74
+
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
+
InitialCondition
Definition: ICs_and_BCs.h:2
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
+
spanZ
#define spanZ
Definition: defaultValues.h:22
+
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
+
+ +
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+ + diff --git a/html/allen_cahn__pfield_2equations_8h.html b/html/allen_cahn__pfield_2equations_8h.html new file mode 100644 index 000000000..f8c8989d1 --- /dev/null +++ b/html/allen_cahn__pfield_2equations_8h.html @@ -0,0 +1,320 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/allenCahn_pfield/equations.h File Reference + + + + + + + + + + +
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PRISMS PhaseField +  1.0 +
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equations.h File Reference
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+Macros

#define num_var   1
 
#define variable_name   {"n"}
 
#define variable_type   {"SCALAR"}
 
#define variable_eq_type   {"PARABOLIC"}
 
#define need_val   {true}
 
#define need_grad   {true}
 
#define need_hess   {false}
 
#define need_val_residual   {true}
 
#define need_grad_residual   {true}
 
#define MnV   1.0
 
#define KnV   4.0
 
#define fV   (n*n*n*n - 2.0*n*n*n + n*n)
 
#define fnV   (4.0*n*(n-1.0)*(n-0.5))
 
#define rnV   (n-constV(timeStep*MnV)*fnV)
 
#define rnxV   (constV(-timeStep*KnV*MnV)*nx)
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define fnV   (4.0*n*(n-1.0)*(n-0.5))
+
+ +
+
+ +
+
+ + + + +
#define fV   (n*n*n*n - 2.0*n*n*n + n*n)
+
+ +
+
+ +
+
+ + + + +
#define KnV   4.0
+
+ +
+
+ +
+
+ + + + +
#define MnV   1.0
+
+ +
+
+ +
+
+ + + + +
#define need_grad   {true}
+
+ +
+
+ +
+
+ + + + +
#define need_grad_residual   {true}
+
+ +
+
+ +
+
+ + + + +
#define need_hess   {false}
+
+ +
+
+ +
+
+ + + + +
#define need_val   {true}
+
+ +
+
+ +
+
+ + + + +
#define need_val_residual   {true}
+
+ +
+
+ +
+
+ + + + +
#define num_var   1
+
+ +
+
+ +
+
+ + + + +
#define rnV   (n-constV(timeStep*MnV)*fnV)
+
+ +
+
+ +
+
+ + + + +
#define rnxV   (constV(-timeStep*KnV*MnV)*nx)
+
+ +
+
+ +
+
+ + + + +
#define variable_eq_type   {"PARABOLIC"}
+
+ +
+
+ +
+
+ + + + +
#define variable_name   {"n"}
+
+ +
+
+ +
+
+ + + + +
#define variable_type   {"SCALAR"}
+
+ +
+
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/allen_cahn__pfield_2equations_8h_source.html b/html/allen_cahn__pfield_2equations_8h_source.html new file mode 100644 index 000000000..01b2e2902 --- /dev/null +++ b/html/allen_cahn__pfield_2equations_8h_source.html @@ -0,0 +1,259 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/allenCahn_pfield/equations.h Source File + + + + + + + + + + +
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PRISMS PhaseField +  1.0 +
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+
equations.h
+
+
+Go to the documentation of this file.
1 // List of variables and residual equations for the coupled Allen-Cahn example application
+
2 
+
3 // =================================================================================
+
4 // Define the variables in the model
+
5 // =================================================================================
+
6 // The number of variables
+
7 #define num_var 1
+
8 
+
9 // The names of the variables, whether they are scalars or vectors and whether the
+
10 // governing eqn for the variable is parabolic or elliptic
+
11 #define variable_name {"n"}
+
12 #define variable_type {"SCALAR"}
+
13 #define variable_eq_type {"PARABOLIC"}
+
14 
+
15 // Flags for whether the value, gradient, and Hessian are needed in the residual eqns
+
16 #define need_val {true}
+
17 #define need_grad {true}
+
18 #define need_hess {false}
+
19 
+
20 // Flags for whether the residual equation has a term multiplied by the test function
+
21 // (need_val_residual) and/or the gradient of the test function (need_grad_residual)
+
22 #define need_val_residual {true}
+
23 #define need_grad_residual {true}
+
24 
+
25 // =================================================================================
+
26 // Define the model parameters and the residual equations
+
27 // =================================================================================
+
28 // Parameters in the residual equations and expressions for the residual equations
+
29 // can be set here. For simple cases, the entire residual equation can be written
+
30 // here. For more complex cases with loops or conditional statements, residual
+
31 // equations (or parts of residual equations) can be written below in "residualRHS".
+
32 
+
33 // Mobility
+
34 #define MnV 1.0
+
35 
+
36 // Gradient energy coefficient
+
37 #define KnV 4.0
+
38 
+
39 // Free energy and its derivative
+
40 #define fV (n*n*n*n - 2.0*n*n*n + n*n)
+
41 #define fnV (4.0*n*(n-1.0)*(n-0.5))
+
42 
+
43 // Residual equations
+
44 #define rnV (n-constV(timeStep*MnV)*fnV)
+
45 #define rnxV (constV(-timeStep*KnV*MnV)*nx)
+
46 
+
47 // =================================================================================
+
48 // residualRHS
+
49 // =================================================================================
+
50 // This function calculates the residual equations for each variable. It takes
+
51 // "modelVariablesList" as an input, which is a list of the value and derivatives of
+
52 // each of the variables at a specific quadrature point. The (x,y,z) location of
+
53 // that quadrature point is given by "q_point_loc". The function outputs
+
54 // "modelResidualsList", a list of the value and gradient terms of the residual for
+
55 // each residual equation. The index for each variable in these lists corresponds to
+
56 // the order it is defined at the top of this file (starting at 0).
+
57 template <int dim>
+
58 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim>> & modelVariablesList,
+
59  std::vector<modelResidual<dim>> & modelResidualsList,
+
60  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
61 
+
62 // The order parameter and its derivatives (names here should match those in the macros above)
+
63 scalarvalueType n = modelVariablesList[0].scalarValue;
+
64 scalargradType nx = modelVariablesList[0].scalarGrad;
+
65 
+
66 
+
67 // Residuals for the equation to evolve the order parameter (names here should match those in the macros above)
+
68 modelResidualsList[0].scalarValueResidual = rnV;
+
69 modelResidualsList[0].scalarGradResidual = rnxV;
+
70 
+
71 }
+
72 
+
73 // =================================================================================
+
74 // residualLHS (needed only if at least one equation is elliptic)
+
75 // =================================================================================
+
76 // This function calculates the residual equations for the iterative solver for
+
77 // elliptic equations.for each variable. It takes "modelVariablesList" as an input,
+
78 // which is a list of the value and derivatives of each of the variables at a
+
79 // specific quadrature point. The (x,y,z) location of that quadrature point is given
+
80 // by "q_point_loc". The function outputs "modelRes", the value and gradient terms of
+
81 // for the left-hand-side of the residual equation for the iterative solver. The
+
82 // index for each variable in these lists corresponds to the order it is defined at
+
83 // the top of this file (starting at 0), not counting variables that have
+
84 // "need_val_LHS", "need_grad_LHS", and "need_hess_LHS" all set to "false". If there
+
85 // are multiple elliptic equations, conditional statements should be used to ensure
+
86 // that the correct residual is being submitted. The index of the field being solved
+
87 // can be accessed by "this->currentFieldIndex".
+
88 template <int dim>
+
89 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim>> & modelVarList,
+
90  modelResidual<dim> & modelRes,
+
91  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
+
92 }
+
93 
+
94 // =================================================================================
+
95 // energyDensity (needed only if calcEnergy == true)
+
96 // =================================================================================
+
97 // This function integrates the free energy density across the computational domain.
+
98 // It takes "modelVariablesList" as an input, which is a list of the value and
+
99 // derivatives of each of the variables at a specific quadrature point. It also
+
100 // takes the mapped quadrature weight, "JxW_value", as an input. The (x,y,z) location
+
101 // of the quadrature point is given by "q_point_loc". The weighted value of the
+
102 // energy density is added to "energy" variable and the components of the energy
+
103 // density are added to the "energy_components" variable (index 0: chemical energy,
+
104 // index 1: gradient energy, index 2: elastic energy).
+
105 template <int dim>
+
106 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim>> & modelVarList,
+
107  const dealii::VectorizedArray<double> & JxW_value,
+
108  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
+
109 scalarvalueType total_energy_density = constV(0.0);
+
110 
+
111 // The order parameter and its derivatives (names here should match those in the macros above)
+
112 scalarvalueType n = modelVarList[0].scalarValue;
+
113 scalargradType nx = modelVarList[0].scalarGrad;
+
114 
+
115 // The homogenous free energy
+
116 scalarvalueType f_chem = fV;
+
117 
+
118 // The gradient free energy
+
119 scalarvalueType f_grad = constV(0.0);
+
120 
+
121 for (int i=0; i<dim; i++){
+
122  for (int j=0; j<dim; j++){
+
123  f_grad += constV(0.5*KnV)*nx[i]*nx[j];
+
124  }
+
125 }
+
126 
+
127 // The total free energy
+
128 total_energy_density = f_chem + f_grad;
+
129 
+
130 // Loop to step through each element of the vectorized arrays. Working with deal.ii
+
131 // developers to see if there is a more elegant way to do this.
+
132 assembler_lock.acquire ();
+
133 for (unsigned i=0; i<n.n_array_elements;i++){
+
134  // For some reason, some of the values in this loop
+
135  if (n[i] > 1.0e-10){
+
136  this->energy+=total_energy_density[i]*JxW_value[i];
+
137  this->energy_components[0]+= f_chem[i]*JxW_value[i];
+
138  this->energy_components[1]+= f_grad[i]*JxW_value[i];
+
139  }
+
140 }
+
141 assembler_lock.release ();
+
142 }
+
143 
+
144 
+
145 
+
146 
+
rnxV
#define rnxV
Definition: equations.h:45
+
modelResidual
Definition: model_variables.h:25
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
+
rnV
#define rnV
Definition: equations.h:44
+
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
+
constV
#define constV(a)
Definition: matrixFreePDE.h:67
+
KnV
#define KnV
Definition: equations.h:37
+
fV
#define fV
Definition: equations.h:40
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
+
modelVariable
Definition: model_variables.h:4
+
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
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#include "IntegrationTools/PField.hh"
+#include "../../include/dealIIheaders.h"
+#include "parameters.h"
+#include "../../src/models/coupled/generalized_model.h"
+#include "equations.h"
+#include "ICs_and_BCs.h"
+#include "../../src/models/coupled/generalized_model_functions.h"
+
+ + + +

+Functions

int main (int argc, char **argv)
 
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Go to the source code of this file.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

+Macros

#define problemDIM   2
 
#define spanX   100.0
 
#define spanY   100.0
 
#define spanZ   100.0
 
#define subdivisionsX   1
 
#define subdivisionsY   1
 
#define subdivisionsZ   1
 
#define refineFactor   7
 
#define finiteElementDegree   1
 
#define timeStep   1.0e-3
 
#define timeFinal   20.0
 
#define timeIncrements   20000
 
#define writeOutput   true
 
#define outputFileType   "vtk"
 
#define outputCondition   "EQUAL_SPACING"
 
#define numOutputs   10
 
#define outputList   {}
 
#define skipPrintSteps   10
 
#define calcEnergy   true
 
+

Macro Definition Documentation

+ +
+
+ + + + +
#define calcEnergy   true
+
+ +
+
+ +
+
+ + + + +
#define finiteElementDegree   1
+
+ +
+
+ +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "EQUAL_SPACING"
+
+ +
+
+ +
+
+ + + + +
#define outputFileType   "vtk"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {}
+
+ +
+
+ +
+
+ + + + +
#define problemDIM   2
+
+ +
+
+ +
+
+ + + + +
#define refineFactor   7
+
+ +
+
+ +
+
+ + + + +
#define skipPrintSteps   10
+
+ +
+
+ +
+
+ + + + +
#define spanX   100.0
+
+ +
+
+ +
+
+ + + + +
#define spanY   100.0
+
+ +
+
+ +
+
+ + + + +
#define spanZ   100.0
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsX   1
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsY   1
+
+ +
+
+ +
+
+ + + + +
#define subdivisionsZ   1
+
+ +
+
+ +
+
+ + + + +
#define timeFinal   20.0
+
+ +
+
+ +
+
+ + + + +
#define timeIncrements   20000
+
+ +
+
+ +
+
+ + + + +
#define timeStep   1.0e-3
+
+ +
+
+ +
+
+ + + + +
#define writeOutput   true
+
+ +
+
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/allen_cahn__pfield_2parameters_8h_source.html b/html/allen_cahn__pfield_2parameters_8h_source.html new file mode 100644 index 000000000..e0cca7b36 --- /dev/null +++ b/html/allen_cahn__pfield_2parameters_8h_source.html @@ -0,0 +1,177 @@ + + + + + + +PRISMS PhaseField: phaseField_dev/applications/allenCahn_pfield/parameters.h Source File + + + + + + + + + + +
+
+ + + + + + +
+
PRISMS PhaseField +  1.0 +
+
+
+ + + + + + +
+
+ + +
+ +
+ + +
+
+
+
parameters.h
+
+
+Go to the documentation of this file.
1 // Parameter list for the Allen-Cahn example application
+
2 // All strictly numerical parameters should be set in this file
+
3 
+
4 // =================================================================================
+
5 // Set the number of dimensions (1, 2, or 3 for a 1D, 2D, or 3D calculation)
+
6 // =================================================================================
+
7 #define problemDIM 2
+
8 
+
9 // =================================================================================
+
10 // Set the length of the domain in all three dimensions
+
11 // =================================================================================
+
12 // Each axes spans from zero to the specified length
+
13 #define spanX 100.0
+
14 #define spanY 100.0
+
15 #define spanZ 100.0
+
16 
+
17 // =================================================================================
+
18 // Set the element parameters
+
19 // =================================================================================
+
20 // The number of elements in each direction is 2^(refineFactor) * subdivisions
+
21 // For optimal performance, use refineFactor primarily to determine the element size
+
22 #define subdivisionsX 1
+
23 #define subdivisionsY 1
+
24 #define subdivisionsZ 1
+
25 #define refineFactor 7
+
26 
+
27 // Set the polynomial degree of the element (suggested values: 1 or 2)
+
28 #define finiteElementDegree 1
+
29 
+
30 // =================================================================================
+
31 // Set the time step parameters
+
32 // =================================================================================
+
33 // The size of the time step
+
34 #define timeStep 1.0e-3
+
35 
+
36 // The simulation ends when either timeFinal is reached or the number of time steps
+
37 // equals timeIncrements
+
38 #define timeFinal 20.0
+
39 #define timeIncrements 20000
+
40 
+
41 // =================================================================================
+
42 // Set the output parameters
+
43 // =================================================================================
+
44 // Each field in the problem will be output is writeOutput is set to "true"
+
45 #define writeOutput true
+
46 
+
47 // Set the output file type from list of available deal.II output formats (common
+
48 // (choices are write_vtu and write_vtk)
+
49 #define outputFileType "vtk"
+
50 
+
51 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
52 // or "LIST")
+
53 #define outputCondition "EQUAL_SPACING"
+
54 
+
55 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
56 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
57 #define numOutputs 10
+
58 
+
59 // User-defined list of time steps where the program should output. Only used if
+
60 // outputCondition is "LIST"
+
61 #define outputList {}
+
62 
+
63 // Status is printed to the screen every skipPrintSteps
+
64 #define skipPrintSteps 10
+
65 
+
66 // =================================================================================
+
67 // Set the flag determining if the total free energy is calculated for each output
+
68 // =================================================================================
+
69 #define calcEnergy true
+
70 
+
71 
+
72 
+
73 
+
74 
+
75 
+
76 
+
+ +
+Generated by   +doxygen + 1.8.10 +
+ + diff --git a/html/annotated.html b/html/annotated.html index 7974dc746..4a0a17a88 100644 --- a/html/annotated.html +++ b/html/annotated.html @@ -89,19 +89,20 @@
Here are the classes, structs, unions and interfaces with brief descriptions:
- - - - - - - - - - - - - +
[detail level 12]
 CAllenCahnProblem
 CBCFunction
 CCahnHilliardProblem
 CCoupledCahnHilliardMechanicsProblem
 CCoupledCHACMechanicsProblem
 CCoupledCHACProblem
 CFickianProblem
 CField
 CgeneralizedProblem
 CInitialCondition
 CInitialConditionC
 CInitialConditionN
+ + + + + + + + + + + + + diff --git a/html/cahn_hilliard_2_i_cs__and___b_cs_8h_source.html b/html/cahn_hilliard_2_i_cs__and___b_cs_8h_source.html index f77953410..791454293 100644 --- a/html/cahn_hilliard_2_i_cs__and___b_cs_8h_source.html +++ b/html/cahn_hilliard_2_i_cs__and___b_cs_8h_source.html @@ -174,7 +174,7 @@
82  // Inputs to "inputBCs":
83  // First input: variable number
84  // Second input: component number
-
85  // Third input: BC type (options are "ZERO_DERIVATIVE" and "DIRICHLET")
+
85  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
86  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
87  // Odd inputs after the third: BC type
88  // Even inputs after the third: BC value
@@ -185,7 +185,7 @@
93  inputBCs(1,0,"ZERO_DERIVATIVE",0);
94 
95 }
-
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:46
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:56
spanX
#define spanX
Definition: defaultValues.h:12
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
@@ -193,11 +193,11 @@
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
refineFactor
#define refineFactor
Definition: defaultValues.h:27
-
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:66
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:53
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
InitialCondition
Definition: ICs_and_BCs.h:2
-
InitialConditionVec
Definition: ICs_and_BCs.h:43
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
spanZ
#define spanZ
Definition: defaultValues.h:22
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
diff --git a/html/cahn_hilliard_2equations_8h.html b/html/cahn_hilliard_2equations_8h.html index cee68ab8c..14c90a10e 100644 --- a/html/cahn_hilliard_2equations_8h.html +++ b/html/cahn_hilliard_2equations_8h.html @@ -123,13 +123,13 @@ - + - + - +
 ►NPFunctions
 CAllenCahnProblem
 CBCFunction
 CCahnHilliardProblem
 CCoupledCahnHilliardMechanicsProblem
 CCoupledCHACMechanicsProblem
 CCoupledCHACProblem
 CFickianProblem
 CField
 CgeneralizedProblem
 CInitialCondition
 CInitialConditionC
 CInitialConditionVec
 CMatrixFreePDE
 CMechanicsProblem
 
#define fcV   (4.0*c*(c-1.0)*(c-0.5))
 
#define rmuV   (fcV)
#define rmuV   (fcV)
 
#define rmuxV   (constV(KcV)*cx)
#define rmuxV   (constV(KcV)*cx)
 
#define rcV   (c)
 
#define rcxV   (constV(-McV*timeStep)*mux)
#define rcxV   (constV(-McV*timeStep)*mux)
 

Macro Definition Documentation

@@ -270,7 +270,7 @@

Macro Definition Documentation

- +
#define rcxV   (constV(-McV*timeStep)*mux)#define rcxV   (constV(-McV*timeStep)*mux)
@@ -282,7 +282,7 @@

Macro Definition Documentation

- +
#define rmuV   (fcV)#define rmuV   (fcV)
@@ -294,7 +294,7 @@

Macro Definition Documentation

- +
#define rmuxV   (constV(KcV)*cx)#define rmuxV   (constV(KcV)*cx)
diff --git a/html/cahn_hilliard_2equations_8h_source.html b/html/cahn_hilliard_2equations_8h_source.html index 2707e470c..edf911e09 100644 --- a/html/cahn_hilliard_2equations_8h_source.html +++ b/html/cahn_hilliard_2equations_8h_source.html @@ -150,8 +150,8 @@
58 // each residual equation. The index for each variable in these lists corresponds to
59 // the order it is defined at the top of this file (starting at 0).
60 template <int dim>
-
61 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim>> & modelVariablesList,
-
62  std::vector<modelResidual<dim>> & modelResidualsList,
+
61 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
62  std::vector<modelResidual<dim> > & modelResidualsList,
63  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
64 
65 // The concentration and its derivatives (names here should match those in the macros above)
@@ -188,7 +188,7 @@
96 // that the correct residual is being submitted. The index of the field being solved
97 // can be accessed by "this->currentFieldIndex".
98 template <int dim>
-
99 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim>> & modelVarList,
+
99 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVarList,
100  modelResidual<dim> & modelRes,
101  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
102 }
@@ -205,7 +205,7 @@
113 // density are added to the "energy_components" variable (index 0: chemical energy,
114 // index 1: gradient energy, index 2: elastic energy).
115 template <int dim>
-
116 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim>> & modelVariablesList,
+
116 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVariablesList,
117  const dealii::VectorizedArray<double> & JxW_value,
118  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
119 scalarvalueType total_energy_density = constV(0.0);
@@ -250,19 +250,19 @@
158 
159 
rmuxV
#define rmuxV
Definition: equations.h:45
-
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim >> &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
modelResidual
Definition: model_variables.h:25
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim >> &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
constV
#define constV(a)
Definition: matrixFreePDE.h:67
KcV
#define KcV
Definition: equations.h:37
rcxV
#define rcxV
Definition: equations.h:47
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
rmuV
#define rmuV
Definition: equations.h:44
modelVariable
Definition: model_variables.h:4
fV
#define fV
Definition: equations.h:40
rcV
#define rcV
Definition: equations.h:46
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
-
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim >> &modelVarList, std::vector< modelResidual< dim >> &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
diff --git a/html/cahn_hilliard_2parameters_8h.html b/html/cahn_hilliard_2parameters_8h.html index f5fc75ab3..f694804bb 100644 --- a/html/cahn_hilliard_2parameters_8h.html +++ b/html/cahn_hilliard_2parameters_8h.html @@ -123,8 +123,14 @@   #define writeOutput   true   -#define skipOutputSteps   1000 -  +#define outputCondition   "EQUAL_SPACING" +  +#define numOutputs   10 +  +#define outputList   {} +  +#define skipPrintSteps   10 +  #define calcEnergy   false   @@ -151,6 +157,42 @@

Macro Definition Documentation

+
+
+ +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "EQUAL_SPACING"
+
+ +
+
+ +
+
+ + + + +
#define outputList   {}
+
+
@@ -177,12 +219,12 @@

Macro Definition Documentation

- +
- +
#define skipOutputSteps   1000#define skipPrintSteps   10
diff --git a/html/cahn_hilliard_2parameters_8h_source.html b/html/cahn_hilliard_2parameters_8h_source.html index 21419a93b..2058d5482 100644 --- a/html/cahn_hilliard_2parameters_8h_source.html +++ b/html/cahn_hilliard_2parameters_8h_source.html @@ -136,14 +136,26 @@
44 // Each field in the problem will be output is writeOutput is set to "true"
45 #define writeOutput true
46 
-
47 // Output files are written every skipOutputSteps time steps
-
48 #define skipOutputSteps 1000
-
49 
-
50 // =================================================================================
-
51 // Set the flag determining if the total free energy is calculated for each output
-
52 // =================================================================================
-
53 #define calcEnergy false
+
47 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
48 // or "LIST")
+
49 #define outputCondition "EQUAL_SPACING"
+
50 
+
51 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
52 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
53 #define numOutputs 10
54 
+
55 // User-defined list of time steps where the program should output. Only used if
+
56 // outputCondition is "LIST"
+
57 #define outputList {}
+
58 
+
59 // Status is printed to the screen every skipPrintSteps
+
60 #define skipPrintSteps 10
+
61 
+
62 // =================================================================================
+
63 // Set the flag determining if the total free energy is calculated for each output
+
64 // =================================================================================
+
65 #define calcEnergy false
+
66 
diff --git a/html/cahn_hilliard_with_adaptivity_2_i_cs__and___b_cs_8h_source.html b/html/cahn_hilliard_with_adaptivity_2_i_cs__and___b_cs_8h_source.html index 2f9999fe9..8ffd417b4 100644 --- a/html/cahn_hilliard_with_adaptivity_2_i_cs__and___b_cs_8h_source.html +++ b/html/cahn_hilliard_with_adaptivity_2_i_cs__and___b_cs_8h_source.html @@ -172,7 +172,7 @@
80  // Inputs to "inputBCs":
81  // First input: variable number
82  // Second input: component number
-
83  // Third input: BC type (options are "ZERO_DERIVATIVE" and "DIRICHLET")
+
83  // Third input: BC type (options are "ZERO_DERIVATIVE", "DIRICHLET", and "PERIODIC")
84  // Fourth input: BC value (ignored unless the BC type is "DIRICHLET")
85  // Odd inputs after the third: BC type
86  // Even inputs after the third: BC value
@@ -185,7 +185,7 @@
93  // =====================================================================
94 
95 }
-
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:46
+
InitialConditionVec::index
unsigned int index
Definition: ICs_and_BCs.h:47
InitialConditionVec::vector_value
void vector_value(const Point< dim > &p, Vector< double > &vector_IC) const
Definition: ICs_and_BCs.h:56
spanX
#define spanX
Definition: defaultValues.h:12
InitialCondition::InitialCondition
InitialCondition(const unsigned int _index)
Definition: ICs_and_BCs.h:7
@@ -193,11 +193,11 @@
InitialCondition::value
double value(const Point< dim > &p, const unsigned int component=0) const
Definition: ICs_and_BCs.h:10
InitialCondition::index
unsigned int index
Definition: ICs_and_BCs.h:5
refineFactor
#define refineFactor
Definition: defaultValues.h:27
-
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:66
+
generalizedProblem::setBCs
void setBCs()
Definition: ICs_and_BCs.h:67
InitialConditionVec::InitialConditionVec
InitialConditionVec(const unsigned int _index)
Definition: ICs_and_BCs.h:53
subdivisionsX
#define subdivisionsX
Definition: parameters.h:14
InitialCondition
Definition: ICs_and_BCs.h:2
-
InitialConditionVec
Definition: ICs_and_BCs.h:43
+
InitialConditionVec
Definition: ICs_and_BCs.h:44
InitialCondition::values
Vector< double > values
Definition: ICs_and_BCs.h:6
diff --git a/html/cahn_hilliard_with_adaptivity_2equations_8h.html b/html/cahn_hilliard_with_adaptivity_2equations_8h.html index a3b3acaf1..6a608388b 100644 --- a/html/cahn_hilliard_with_adaptivity_2equations_8h.html +++ b/html/cahn_hilliard_with_adaptivity_2equations_8h.html @@ -123,13 +123,13 @@   #define fcV   (4.0*c*(c-1.0)*(c-0.5))   -#define rmuV   (fcV) +#define rmuV   (fcV)   -#define rmuxV   (constV(KcV)*cx) +#define rmuxV   (constV(KcV)*cx)   #define rcV   (c)   -#define rcxV   (constV(-McV*timeStep)*mux) +#define rcxV   (constV(-McV*timeStep)*mux)  

Macro Definition Documentation

@@ -270,7 +270,7 @@

Macro Definition Documentation

- +
#define rcxV   (constV(-McV*timeStep)*mux)#define rcxV   (constV(-McV*timeStep)*mux)
@@ -282,7 +282,7 @@

Macro Definition Documentation

- +
#define rmuV   (fcV)#define rmuV   (fcV)
@@ -294,7 +294,7 @@

Macro Definition Documentation

- +
#define rmuxV   (constV(KcV)*cx)#define rmuxV   (constV(KcV)*cx)
diff --git a/html/cahn_hilliard_with_adaptivity_2equations_8h_source.html b/html/cahn_hilliard_with_adaptivity_2equations_8h_source.html index b7fcfa28b..93e67758f 100644 --- a/html/cahn_hilliard_with_adaptivity_2equations_8h_source.html +++ b/html/cahn_hilliard_with_adaptivity_2equations_8h_source.html @@ -149,8 +149,8 @@
57 // each residual equation. The index for each variable in these lists corresponds to
58 // the order it is defined at the top of this file (starting at 0).
59 template <int dim>
-
60 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim>> & modelVariablesList,
-
61  std::vector<modelResidual<dim>> & modelResidualsList,
+
60 void generalizedProblem<dim>::residualRHS(const std::vector<modelVariable<dim> > & modelVariablesList,
+
61  std::vector<modelResidual<dim> > & modelResidualsList,
62  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
63 
64 // The concentration and its derivatives (names here should match those in the macros above)
@@ -187,7 +187,7 @@
95 // that the correct residual is being submitted. The index of the field being solved
96 // can be accessed by "this->currentFieldIndex".
97 template <int dim>
-
98 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim>> & modelVarList,
+
98 void generalizedProblem<dim>::residualLHS(const std::vector<modelVariable<dim> > & modelVarList,
99  modelResidual<dim> & modelRes,
100  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) const {
101 }
@@ -204,7 +204,7 @@
112 // density are added to the "energy_components" variable (index 0: chemical energy,
113 // index 1: gradient energy, index 2: elastic energy).
114 template <int dim>
-
115 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim>> & modelVariablesList,
+
115 void generalizedProblem<dim>::energyDensity(const std::vector<modelVariable<dim> > & modelVariablesList,
116  const dealii::VectorizedArray<double> & JxW_value,
117  dealii::Point<dim, dealii::VectorizedArray<double> > q_point_loc) {
118 scalarvalueType total_energy_density = constV(0.0);
@@ -247,20 +247,20 @@
155 
156 
157 
-
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim >> &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
modelResidual
Definition: model_variables.h:25
+
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim > > &modelVarList, std::vector< modelResidual< dim > > &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
scalargradType
dealii::Tensor< 1, problemDIM, dealii::VectorizedArray< double > > scalargradType
Definition: matrixFreePDE.h:51
-
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim >> &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
constV
#define constV(a)
Definition: matrixFreePDE.h:67
fV
#define fV
Definition: equations.h:40
rmuV
#define rmuV
Definition: equations.h:44
rcV
#define rcV
Definition: equations.h:46
rmuxV
#define rmuxV
Definition: equations.h:45
+
generalizedProblem::residualLHS
void residualLHS(const std::vector< modelVariable< dim > > &modelVarList, modelResidual< dim > &modelRes, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:89
KcV
#define KcV
Definition: equations.h:37
rcxV
#define rcxV
Definition: equations.h:47
modelVariable
Definition: model_variables.h:4
scalarvalueType
dealii::VectorizedArray< double > scalarvalueType
Definition: matrixFreePDE.h:34
-
generalizedProblem::residualRHS
void residualRHS(const std::vector< modelVariable< dim >> &modelVarList, std::vector< modelResidual< dim >> &modelResidualsList, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc) const
Definition: equations.h:58
+
generalizedProblem::energyDensity
void energyDensity(const std::vector< modelVariable< dim > > &modelVarList, const dealii::VectorizedArray< double > &JxW_value, dealii::Point< dim, dealii::VectorizedArray< double > > q_point_loc)
Definition: equations.h:106
diff --git a/html/cahn_hilliard_with_adaptivity_2parameters_8h.html b/html/cahn_hilliard_with_adaptivity_2parameters_8h.html index 8db61724c..2b7199490 100644 --- a/html/cahn_hilliard_with_adaptivity_2parameters_8h.html +++ b/html/cahn_hilliard_with_adaptivity_2parameters_8h.html @@ -117,9 +117,9 @@   #define hAdaptivity   true   -#define maxRefinementLevel   (refineFactor) +#define maxRefinementLevel   (refineFactor)   -#define minRefinementLevel   (refineFactor-1) +#define minRefinementLevel   (refineFactor-1)   #define refineCriterionFields   {0}   @@ -137,8 +137,14 @@   #define writeOutput   true   -#define skipOutputSteps   1000 -  +#define outputCondition   "EQUAL_SPACING" +  +#define numOutputs   10 +  +#define outputList   {} +  +#define skipPrintSteps   10 +  #define calcEnergy   false   @@ -184,7 +190,7 @@

Macro Definition Documentation

- +
#define maxRefinementLevel   (refineFactor)#define maxRefinementLevel   (refineFactor)
@@ -196,7 +202,43 @@

Macro Definition Documentation

- + + +
#define minRefinementLevel   (refineFactor-1)#define minRefinementLevel   (refineFactor-1)
+
+ +
+
+ +
+
+ + + + +
#define numOutputs   10
+
+ +
+
+ +
+
+ + + + +
#define outputCondition   "EQUAL_SPACING"
+
+ +
+
+ +
+
+ + +
#define outputList   {}
@@ -263,12 +305,12 @@

Macro Definition Documentation

- +
- +
#define skipOutputSteps   1000#define skipPrintSteps   10
diff --git a/html/cahn_hilliard_with_adaptivity_2parameters_8h_source.html b/html/cahn_hilliard_with_adaptivity_2parameters_8h_source.html index b1f9f03ab..33bb6620e 100644 --- a/html/cahn_hilliard_with_adaptivity_2parameters_8h_source.html +++ b/html/cahn_hilliard_with_adaptivity_2parameters_8h_source.html @@ -158,18 +158,30 @@
66 // Each field in the problem will be output is writeOutput is set to "true"
67 #define writeOutput true
68 
-
69 // Output files are written every skipOutputSteps time steps
-
70 #define skipOutputSteps 1000
-
71 
-
72 // =================================================================================
-
73 // Set the flag determining if the total free energy is calculated for each output
-
74 // =================================================================================
-
75 #define calcEnergy false
+
69 // Type of spacing between outputs ("EQUAL_SPACING", "LOG_SPACING", "N_PER_DECADE",
+
70 // or "LIST")
+
71 #define outputCondition "EQUAL_SPACING"
+
72 
+
73 // Number of times the program outputs the fields (total number for "EQUAL_SPACING"
+
74 // and "LOG_SPACING", number per decade for "N_PER_DECADE", ignored for "LIST")
+
75 #define numOutputs 10
76 
-
77 
-
78 
-
79 
+
77 // User-defined list of time steps where the program should output. Only used if
+
78 // outputCondition is "LIST"
+
79 #define outputList {}
80 
+
81 // Status is printed to the screen every skipPrintSteps
+
82 #define skipPrintSteps 10
+
83 
+
84 // =================================================================================
+
85 // Set the flag determining if the total free energy is calculated for each output
+
86 // =================================================================================
+
87 #define calcEnergy false
+
88 
+
89 
+
90 
+
91 
+
92 
diff --git a/html/class_allen_cahn_problem-members.html b/html/class_allen_cahn_problem-members.html index bea9bb4c7..54695be49 100644 --- a/html/class_allen_cahn_problem-members.html +++ b/html/class_allen_cahn_problem-members.html @@ -101,15 +101,15 @@ computeInvM()MatrixFreePDE< dim >protected computeRHS()MatrixFreePDE< dim >protected computing_timerMatrixFreePDE< dim >mutableprotected - constraintsHangingNodesSetMatrixFreePDE< dim >protected - constraintsHangingNodesSet2MatrixFreePDE< dim >protected - constraintsSetMatrixFreePDE< dim >protected - constraintsSet2MatrixFreePDE< dim >protected + constraintsDirichletSetMatrixFreePDE< dim >protected + constraintsDirichletSet_nonconstMatrixFreePDE< dim >protected + constraintsOtherSetMatrixFreePDE< dim >protected + constraintsOtherSet_nonconstMatrixFreePDE< dim >protected currentFieldIndexMatrixFreePDE< dim >protected currentIncrementMatrixFreePDE< dim >protected currentTimeMatrixFreePDE< dim >protected dofHandlersSetMatrixFreePDE< dim >protected - dofHandlersSet2MatrixFreePDE< dim >protected + dofHandlersSet_nonconstMatrixFreePDE< dim >protected dtValueMatrixFreePDE< dim >protected dUMatrixFreePDE< dim >protected ellipticFieldIndexMatrixFreePDE< dim >protected @@ -119,9 +119,11 @@ fieldsMatrixFreePDE< dim > finalTimeMatrixFreePDE< dim >protected freeEnergyValuesMatrixFreePDE< dim >protected - getEnergy(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range)MatrixFreePDE< dim >protectedvirtual - getFieldIndex(std::string _name)MatrixFreePDE< dim >protected - getLHS(const MatrixFree< dim, double > &data, vectorType &dst, const vectorType &src, const std::pair< unsigned int, unsigned int > &cell_range) const MatrixFreePDE< dim >protectedvirtual + getComponentsWithRigidBodyModes(std::vector< int > &)MatrixFreePDE< dim >protectedvirtual + getEnergy(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range)MatrixFreePDE< dim >protectedvirtual + getFieldIndex(std::string _name)MatrixFreePDE< dim >protected + getLHS(const MatrixFree< dim, double > &data, vectorType &dst, const vectorType &src, const std::pair< unsigned int, unsigned int > &cell_range) const MatrixFreePDE< dim >protectedvirtual + getOutputTimeSteps(std::string outputSpacingType, unsigned int numberOfOutputs, std::vector< unsigned int > &userGivenTimeStepList, std::vector< unsigned int > &timeStepList)MatrixFreePDE< dim >protected getRHS(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range) const AllenCahnProblem< dim >privatevirtual init(unsigned int iter=0)MatrixFreePDE< dim > initForTests()MatrixFreePDE< dim > @@ -129,7 +131,7 @@ isEllipticBVPMatrixFreePDE< dim >protected isTimeDependentBVPMatrixFreePDE< dim >protected locally_relevant_dofsSetMatrixFreePDE< dim >protected - locally_relevant_dofsSet2MatrixFreePDE< dim >protected + locally_relevant_dofsSet_nonconstMatrixFreePDE< dim >protected markBoundaries()MatrixFreePDE< dim >protectedvirtual matrixFreeObjectMatrixFreePDE< dim >protected MatrixFreePDE()MatrixFreePDE< dim > @@ -137,21 +139,26 @@ num_quadrature_pointsMatrixFreePDE< dim >protected outputFreeEnergy(std::vector< double > &freeEnergyValues)MatrixFreePDE< dim >protected outputResults()MatrixFreePDE< dim >protected - parabolicFieldIndexMatrixFreePDE< dim >protected - pcoutMatrixFreePDE< dim >protected - refineGrid()MatrixFreePDE< dim >protected - refineMesh(unsigned int _currentIncrement)MatrixFreePDE< dim >protected + outputTimeStepListMatrixFreePDE< dim >protected + parabolicFieldIndexMatrixFreePDE< dim >protected + pcoutMatrixFreePDE< dim >protected + refineGrid()MatrixFreePDE< dim >protected + refineMesh(unsigned int _currentIncrement)MatrixFreePDE< dim >protected + reinit(unsigned int iter=0)MatrixFreePDE< dim > residualSetMatrixFreePDE< dim >protected - shiftConcentration()MatrixFreePDE< dim > - soltransSetMatrixFreePDE< dim >protected - solutionSetMatrixFreePDE< dim >protected - solve()MatrixFreePDE< dim > - solveIncrement()MatrixFreePDE< dim >protected - totalIncrementsMatrixFreePDE< dim >protected - triangulationMatrixFreePDE< dim >protected - valuesDirichletSetMatrixFreePDE< dim >protected - vmult(vectorType &dst, const vectorType &src) const MatrixFreePDE< dim > - ~MatrixFreePDE()MatrixFreePDE< dim > + setPeriodicity()MatrixFreePDE< dim >protectedvirtual + setPeriodicityConstraints(ConstraintMatrix *, DoFHandler< dim > *)MatrixFreePDE< dim >protectedvirtual + setRigidBodyModeConstraints(std::vector< int >, ConstraintMatrix *, DoFHandler< dim > *)MatrixFreePDE< dim >protectedvirtual + shiftConcentration()MatrixFreePDE< dim > + soltransSetMatrixFreePDE< dim >protected + solutionSetMatrixFreePDE< dim >protected + solve()MatrixFreePDE< dim > + solveIncrement()MatrixFreePDE< dim >protected + totalIncrementsMatrixFreePDE< dim >protected + triangulationMatrixFreePDE< dim >protected + valuesDirichletSetMatrixFreePDE< dim >protected + vmult(vectorType &dst, const vectorType &src) const MatrixFreePDE< dim > + ~MatrixFreePDE()MatrixFreePDE< dim >
diff --git a/html/class_allen_cahn_problem.html b/html/class_allen_cahn_problem.html index a6824430a..026824607 100644 --- a/html/class_allen_cahn_problem.html +++ b/html/class_allen_cahn_problem.html @@ -115,6 +115,8 @@   void init (unsigned int iter=0)   +void reinit (unsigned int iter=0) +  void initForTests ()   void solve () @@ -141,6 +143,8 @@   void outputResults ()   +void getOutputTimeSteps (std::string outputSpacingType, unsigned int numberOfOutputs, std::vector< unsigned int > &userGivenTimeStepList, std::vector< unsigned int > &timeStepList) +  void computeInvM ()   void computeRHS () @@ -159,6 +163,14 @@   virtual void applyDirichletBCs ()   +virtual void setPeriodicity () +  +virtual void setPeriodicityConstraints (ConstraintMatrix *, DoFHandler< dim > *) +  +virtual void getComponentsWithRigidBodyModes (std::vector< int > &) +  +virtual void setRigidBodyModeConstraints (std::vector< int >, ConstraintMatrix *, DoFHandler< dim > *) +  virtual void modifySolutionFields ()   void computeEnergy () @@ -172,26 +184,28 @@ void computeIntegral (double &integratedField)   - Protected Attributes inherited from MatrixFreePDE< dim > +std::vector< unsigned int > outputTimeStepList +  parallel::distributed::Triangulation< dim > triangulation   std::vector< FESystem< dim > * > FESet   -std::vector< const ConstraintMatrix * > constraintsSet -  -std::vector< const ConstraintMatrix * > constraintsHangingNodesSet -  +std::vector< const ConstraintMatrix * > constraintsDirichletSet +  +std::vector< const ConstraintMatrix * > constraintsOtherSet +  std::vector< const DoFHandler< dim > * > dofHandlersSet   std::vector< const IndexSet * > locally_relevant_dofsSet   -std::vector< ConstraintMatrix * > constraintsSet2 -  -std::vector< ConstraintMatrix * > constraintsHangingNodesSet2 -  -std::vector< DoFHandler< dim > * > dofHandlersSet2 -  -std::vector< IndexSet * > locally_relevant_dofsSet2 -  +std::vector< ConstraintMatrix * > constraintsDirichletSet_nonconst +  +std::vector< ConstraintMatrix * > constraintsOtherSet_nonconst +  +std::vector< DoFHandler< dim > * > dofHandlersSet_nonconst +  +std::vector< IndexSet * > locally_relevant_dofsSet_nonconst +  std::vector< vectorType * > solutionSet   std::vector< vectorType * > residualSet diff --git a/html/class_cahn_hilliard_problem-members.html b/html/class_cahn_hilliard_problem-members.html index 646f25470..bc007b529 100644 --- a/html/class_cahn_hilliard_problem-members.html +++ b/html/class_cahn_hilliard_problem-members.html @@ -101,15 +101,15 @@ computeInvM()MatrixFreePDE< dim >protected computeRHS()MatrixFreePDE< dim >protected computing_timerMatrixFreePDE< dim >mutableprotected - constraintsHangingNodesSetMatrixFreePDE< dim >protected - constraintsHangingNodesSet2MatrixFreePDE< dim >protected - constraintsSetMatrixFreePDE< dim >protected - constraintsSet2MatrixFreePDE< dim >protected + constraintsDirichletSetMatrixFreePDE< dim >protected + constraintsDirichletSet_nonconstMatrixFreePDE< dim >protected + constraintsOtherSetMatrixFreePDE< dim >protected + constraintsOtherSet_nonconstMatrixFreePDE< dim >protected currentFieldIndexMatrixFreePDE< dim >protected currentIncrementMatrixFreePDE< dim >protected currentTimeMatrixFreePDE< dim >protected dofHandlersSetMatrixFreePDE< dim >protected - dofHandlersSet2MatrixFreePDE< dim >protected + dofHandlersSet_nonconstMatrixFreePDE< dim >protected dtValueMatrixFreePDE< dim >protected dUMatrixFreePDE< dim >protected ellipticFieldIndexMatrixFreePDE< dim >protected @@ -119,9 +119,11 @@ fieldsMatrixFreePDE< dim > finalTimeMatrixFreePDE< dim >protected freeEnergyValuesMatrixFreePDE< dim >protected - getEnergy(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range)MatrixFreePDE< dim >protectedvirtual - getFieldIndex(std::string _name)MatrixFreePDE< dim >protected - getLHS(const MatrixFree< dim, double > &data, vectorType &dst, const vectorType &src, const std::pair< unsigned int, unsigned int > &cell_range) const MatrixFreePDE< dim >protectedvirtual + getComponentsWithRigidBodyModes(std::vector< int > &)MatrixFreePDE< dim >protectedvirtual + getEnergy(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range)MatrixFreePDE< dim >protectedvirtual + getFieldIndex(std::string _name)MatrixFreePDE< dim >protected + getLHS(const MatrixFree< dim, double > &data, vectorType &dst, const vectorType &src, const std::pair< unsigned int, unsigned int > &cell_range) const MatrixFreePDE< dim >protectedvirtual + getOutputTimeSteps(std::string outputSpacingType, unsigned int numberOfOutputs, std::vector< unsigned int > &userGivenTimeStepList, std::vector< unsigned int > &timeStepList)MatrixFreePDE< dim >protected getRHS(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range) const CahnHilliardProblem< dim >privatevirtual init(unsigned int iter=0)MatrixFreePDE< dim > initForTests()MatrixFreePDE< dim > @@ -129,7 +131,7 @@ isEllipticBVPMatrixFreePDE< dim >protected isTimeDependentBVPMatrixFreePDE< dim >protected locally_relevant_dofsSetMatrixFreePDE< dim >protected - locally_relevant_dofsSet2MatrixFreePDE< dim >protected + locally_relevant_dofsSet_nonconstMatrixFreePDE< dim >protected markBoundaries()MatrixFreePDE< dim >protectedvirtual matrixFreeObjectMatrixFreePDE< dim >protected MatrixFreePDE()MatrixFreePDE< dim > @@ -137,21 +139,26 @@ num_quadrature_pointsMatrixFreePDE< dim >protected outputFreeEnergy(std::vector< double > &freeEnergyValues)MatrixFreePDE< dim >protected outputResults()MatrixFreePDE< dim >protected - parabolicFieldIndexMatrixFreePDE< dim >protected - pcoutMatrixFreePDE< dim >protected - refineGrid()MatrixFreePDE< dim >protected - refineMesh(unsigned int _currentIncrement)MatrixFreePDE< dim >protected + outputTimeStepListMatrixFreePDE< dim >protected + parabolicFieldIndexMatrixFreePDE< dim >protected + pcoutMatrixFreePDE< dim >protected + refineGrid()MatrixFreePDE< dim >protected + refineMesh(unsigned int _currentIncrement)MatrixFreePDE< dim >protected + reinit(unsigned int iter=0)MatrixFreePDE< dim > residualSetMatrixFreePDE< dim >protected - shiftConcentration()MatrixFreePDE< dim > - soltransSetMatrixFreePDE< dim >protected - solutionSetMatrixFreePDE< dim >protected - solve()MatrixFreePDE< dim > - solveIncrement()MatrixFreePDE< dim >protected - totalIncrementsMatrixFreePDE< dim >protected - triangulationMatrixFreePDE< dim >protected - valuesDirichletSetMatrixFreePDE< dim >protected - vmult(vectorType &dst, const vectorType &src) const MatrixFreePDE< dim > - ~MatrixFreePDE()MatrixFreePDE< dim > + setPeriodicity()MatrixFreePDE< dim >protectedvirtual + setPeriodicityConstraints(ConstraintMatrix *, DoFHandler< dim > *)MatrixFreePDE< dim >protectedvirtual + setRigidBodyModeConstraints(std::vector< int >, ConstraintMatrix *, DoFHandler< dim > *)MatrixFreePDE< dim >protectedvirtual + shiftConcentration()MatrixFreePDE< dim > + soltransSetMatrixFreePDE< dim >protected + solutionSetMatrixFreePDE< dim >protected + solve()MatrixFreePDE< dim > + solveIncrement()MatrixFreePDE< dim >protected + totalIncrementsMatrixFreePDE< dim >protected + triangulationMatrixFreePDE< dim >protected + valuesDirichletSetMatrixFreePDE< dim >protected + vmult(vectorType &dst, const vectorType &src) const MatrixFreePDE< dim > + ~MatrixFreePDE()MatrixFreePDE< dim >
diff --git a/html/class_cahn_hilliard_problem.html b/html/class_cahn_hilliard_problem.html index 367e6f077..52bb5f0e0 100644 --- a/html/class_cahn_hilliard_problem.html +++ b/html/class_cahn_hilliard_problem.html @@ -115,6 +115,8 @@   void init (unsigned int iter=0)   +void reinit (unsigned int iter=0) +  void initForTests ()   void solve () @@ -145,6 +147,8 @@   void outputResults ()   +void getOutputTimeSteps (std::string outputSpacingType, unsigned int numberOfOutputs, std::vector< unsigned int > &userGivenTimeStepList, std::vector< unsigned int > &timeStepList) +  void computeInvM ()   void computeRHS () @@ -159,6 +163,14 @@   virtual void applyDirichletBCs ()   +virtual void setPeriodicity () +  +virtual void setPeriodicityConstraints (ConstraintMatrix *, DoFHandler< dim > *) +  +virtual void getComponentsWithRigidBodyModes (std::vector< int > &) +  +virtual void setRigidBodyModeConstraints (std::vector< int >, ConstraintMatrix *, DoFHandler< dim > *) +  virtual void modifySolutionFields ()   void computeEnergy () @@ -172,26 +184,28 @@ void computeIntegral (double &integratedField)   - Protected Attributes inherited from MatrixFreePDE< dim > +std::vector< unsigned int > outputTimeStepList +  parallel::distributed::Triangulation< dim > triangulation   std::vector< FESystem< dim > * > FESet   -std::vector< const ConstraintMatrix * > constraintsSet -  -std::vector< const ConstraintMatrix * > constraintsHangingNodesSet -  +std::vector< const ConstraintMatrix * > constraintsDirichletSet +  +std::vector< const ConstraintMatrix * > constraintsOtherSet +  std::vector< const DoFHandler< dim > * > dofHandlersSet   std::vector< const IndexSet * > locally_relevant_dofsSet   -std::vector< ConstraintMatrix * > constraintsSet2 -  -std::vector< ConstraintMatrix * > constraintsHangingNodesSet2 -  -std::vector< DoFHandler< dim > * > dofHandlersSet2 -  -std::vector< IndexSet * > locally_relevant_dofsSet2 -  +std::vector< ConstraintMatrix * > constraintsDirichletSet_nonconst +  +std::vector< ConstraintMatrix * > constraintsOtherSet_nonconst +  +std::vector< DoFHandler< dim > * > dofHandlersSet_nonconst +  +std::vector< IndexSet * > locally_relevant_dofsSet_nonconst +  std::vector< vectorType * > solutionSet   std::vector< vectorType * > residualSet diff --git a/html/class_coupled_c_h_a_c_mechanics_problem-members.html b/html/class_coupled_c_h_a_c_mechanics_problem-members.html index ab1817a83..892c06ba2 100644 --- a/html/class_coupled_c_h_a_c_mechanics_problem-members.html +++ b/html/class_coupled_c_h_a_c_mechanics_problem-members.html @@ -108,16 +108,16 @@ computeInvM()MatrixFreePDE< dim >protected computeRHS()MatrixFreePDE< dim >protected computing_timerMatrixFreePDE< dim >mutableprotected - constraintsHangingNodesSetMatrixFreePDE< dim >protected - constraintsHangingNodesSet2MatrixFreePDE< dim >protected - constraintsSetMatrixFreePDE< dim >protected - constraintsSet2MatrixFreePDE< dim >protected + constraintsDirichletSetMatrixFreePDE< dim >protected + constraintsDirichletSet_nonconstMatrixFreePDE< dim >protected + constraintsOtherSetMatrixFreePDE< dim >protected + constraintsOtherSet_nonconstMatrixFreePDE< dim >protected CoupledCHACMechanicsProblem()CoupledCHACMechanicsProblem< dim > currentFieldIndexMatrixFreePDE< dim >protected currentIncrementMatrixFreePDE< dim >protected currentTimeMatrixFreePDE< dim >protected dofHandlersSetMatrixFreePDE< dim >protected - dofHandlersSet2MatrixFreePDE< dim >protected + dofHandlersSet_nonconstMatrixFreePDE< dim >protected dtValueMatrixFreePDE< dim >protected dUMatrixFreePDE< dim >protected ellipticFieldIndexMatrixFreePDE< dim >protected @@ -127,9 +127,11 @@ fieldsMatrixFreePDE< dim > finalTimeMatrixFreePDE< dim >protected freeEnergyValuesMatrixFreePDE< dim >protected - getEnergy(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range)CoupledCHACMechanicsProblem< dim >privatevirtual - getFieldIndex(std::string _name)MatrixFreePDE< dim >protected - getLHS(const MatrixFree< dim, double > &data, vectorType &dst, const vectorType &src, const std::pair< unsigned int, unsigned int > &cell_range) const CoupledCHACMechanicsProblem< dim >privatevirtual + getComponentsWithRigidBodyModes(std::vector< int > &)MatrixFreePDE< dim >protectedvirtual + getEnergy(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range)CoupledCHACMechanicsProblem< dim >privatevirtual + getFieldIndex(std::string _name)MatrixFreePDE< dim >protected + getLHS(const MatrixFree< dim, double > &data, vectorType &dst, const vectorType &src, const std::pair< unsigned int, unsigned int > &cell_range) const CoupledCHACMechanicsProblem< dim >privatevirtual + getOutputTimeSteps(std::string outputSpacingType, unsigned int numberOfOutputs, std::vector< unsigned int > &userGivenTimeStepList, std::vector< unsigned int > &timeStepList)MatrixFreePDE< dim >protected getRHS(const MatrixFree< dim, double > &data, std::vector< vectorType * > &dst, const std::vector< vectorType * > &src, const std::pair< unsigned int, unsigned int > &cell_range) const CoupledCHACMechanicsProblem< dim >privatevirtual init(unsigned int iter=0)MatrixFreePDE< dim > initForTests()MatrixFreePDE< dim > @@ -137,7 +139,7 @@ isEllipticBVPMatrixFreePDE< dim >protected isTimeDependentBVPMatrixFreePDE< dim >protected locally_relevant_dofsSetMatrixFreePDE< dim >protected - locally_relevant_dofsSet2MatrixFreePDE< dim >protected + locally_relevant_dofsSet_nonconstMatrixFreePDE< dim >protected markBoundaries()CoupledCHACMechanicsProblem< dim >privatevirtual matrixFreeObjectMatrixFreePDE< dim >protected MatrixFreePDE()MatrixFreePDE< dim > @@ -145,21 +147,26 @@ num_quadrature_pointsMatrixFreePDE< dim >protected outputFreeEnergy(std::vector< double > &freeEnergyValues)MatrixFreePDE< dim >protected outputResults()MatrixFreePDE< dim >protected - parabolicFieldIndexMatrixFreePDE< dim >protected - pcoutMatrixFreePDE< dim >protected - refineGrid()MatrixFreePDE< dim >protected - refineMesh(unsigned int _currentIncrement)MatrixFreePDE< dim >protected + outputTimeStepListMatrixFreePDE< dim >protected + parabolicFieldIndexMatrixFreePDE< dim >protected + pcoutMatrixFreePDE< dim >protected + refineGrid()MatrixFreePDE< dim >protected + refineMesh(unsigned int _currentIncrement)MatrixFreePDE< dim >protected + reinit(unsigned int iter=0)MatrixFreePDE< dim > residualSetMatrixFreePDE< dim >protected - shiftConcentration()CoupledCHACMechanicsProblem< dim > - soltransSetMatrixFreePDE< dim >protected - solutionSetMatrixFreePDE< dim >protected - solve()MatrixFreePDE< dim > - solveIncrement()MatrixFreePDE< dim >protected - totalIncrementsMatrixFreePDE< dim >protected - triangulationMatrixFreePDE< dim >protected - valuesDirichletSetMatrixFreePDE< dim >protected - vmult(vectorType &dst, const vectorType &src) const MatrixFreePDE< dim > - ~MatrixFreePDE()MatrixFreePDE< dim > + setPeriodicity()MatrixFreePDE< dim >protectedvirtual + setPeriodicityConstraints(ConstraintMatrix *, DoFHandler< dim > *)MatrixFreePDE< dim >protectedvirtual + setRigidBodyModeConstraints(std::vector< int >, ConstraintMatrix *, DoFHandler< dim > *)MatrixFreePDE< dim >protectedvirtual + shiftConcentration()CoupledCHACMechanicsProblem< dim > + soltransSetMatrixFreePDE< dim >protected + solutionSetMatrixFreePDE< dim >protected + solve()MatrixFreePDE< dim > + solveIncrement()MatrixFreePDE< dim >protected + totalIncrementsMatrixFreePDE< dim >protected + triangulationMatrixFreePDE< dim >protected + valuesDirichletSetMatrixFreePDE< dim >protected + vmult(vectorType &dst, const vectorType &src) const MatrixFreePDE< dim > + ~MatrixFreePDE()MatrixFreePDE< dim >
diff --git a/html/class_coupled_c_h_a_c_mechanics_problem.html b/html/class_coupled_c_h_a_c_mechanics_problem.html index 770c925ed..1d37e03fd 100644 --- a/html/class_coupled_c_h_a_c_mechanics_problem.html +++ b/html/class_coupled_c_h_a_c_mechanics_problem.html @@ -118,6 +118,8 @@   void init (unsigned int iter=0)   +void reinit (unsigned int iter=0) +  void initForTests ()   void solve () @@ -179,6 +181,8 @@   void outputResults ()   +void getOutputTimeSteps (std::string outputSpacingType, unsigned int numberOfOutputs, std::vector< unsigned int > &userGivenTimeStepList, std::vector< unsigned int > &timeStepList) +  void computeInvM ()   void computeRHS () @@ -187,6 +191,14 @@   void refineMesh (unsigned int _currentIncrement)   +virtual void setPeriodicity () +  +virtual void setPeriodicityConstraints (ConstraintMatrix *, DoFHandler< dim > *) +  +virtual void getComponentsWithRigidBodyModes (std::vector< int > &) +  +virtual void setRigidBodyModeConstraints (std::vector< int >, ConstraintMatrix *, DoFHandler< dim > *) +  void computeEnergy ()   unsigned int getFieldIndex (std::string _name) @@ -196,26 +208,28 @@ void computeIntegral (double &integratedField)   - Protected Attributes inherited from MatrixFreePDE< dim > +std::vector< unsigned int > outputTimeStepList +  parallel::distributed::Triangulation< dim > triangulation   std::vector< FESystem< dim > * > FESet   -std::vector< const ConstraintMatrix * > constraintsSet -  -std::vector< const ConstraintMatrix * > constraintsHangingNodesSet -  +std::vector< const ConstraintMatrix * > constraintsDirichletSet +  +std::vector< const ConstraintMatrix * > constraintsOtherSet +  std::vector< const DoFHandler< dim > * > dofHandlersSet   std::vector< const IndexSet * > locally_relevant_dofsSet   -std::vector< ConstraintMatrix * > constraintsSet2 -  -std::vector< ConstraintMatrix * > constraintsHangingNodesSet2 -  -std::vector< DoFHandler< dim > * > dofHandlersSet2 -  -std::vector< IndexSet * > locally_relevant_dofsSet2 -  +std::vector< ConstraintMatrix * > constraintsDirichletSet_nonconst +  +std::vector< ConstraintMatrix * > constraintsOtherSet_nonconst +  +std::vector< DoFHandler< dim > * > dofHandlersSet_nonconst +  +std::vector< IndexSet * > locally_relevant_dofsSet_nonconst +  std::vector< vectorType * > solutionSet   std::vector< vectorType * > residualSet @@ -775,9 +789,8 @@

Member Data Documentation

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The documentation for this class was generated from the following files: