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a couple of small cleanups #44

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a couple of small cleanups #44

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8f1ea20
update bind.h
greglandrum Mar 6, 2026
315db5a
rename reduced_charge_mat -> reduced_charge_matrix
greglandrum Mar 6, 2026
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4 changes: 2 additions & 2 deletions tightbind/bind.h
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Original file line number Diff line number Diff line change
Expand Up @@ -74,11 +74,11 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <sys/stat.h>
#include <sys/types.h>
#ifndef _MSC_VER
#include <unistd.h>
#endif
#include <sys/stat.h>
#include <sys/types.h>

#ifdef INCLUDE_NETCDF_SUPPORT
#include <netcdf.h>
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2 changes: 1 addition & 1 deletion tightbind/charge_mat.c
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Expand Up @@ -154,7 +154,7 @@ void eval_charge_matrix(cell_type *cell,eigenset_type eigenset,hermetian_matrix_
* num_atoms * num_orbs
*
****************************************************************************/
void reduced_charge_mat(int num_atoms,int num_orbs,int *orbital_lookup_table,real *Chg_matrix,real *RChg_matrix)
void reduced_charge_matrix(int num_atoms,int num_orbs,int *orbital_lookup_table,real *Chg_matrix,real *RChg_matrix)
{
int i,j,k,l;
int ktab;
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2 changes: 1 addition & 1 deletion tightbind/postprocess.c
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Expand Up @@ -707,7 +707,7 @@ INCREASE to the right)\n");

/* this stores the reduced charge matrix */
if( details->Rchg_mat_PRT ){
reduced_charge_mat(cell->num_atoms,num_orbs,orbital_lookup_table,
reduced_charge_matrix(cell->num_atoms,num_orbs,orbital_lookup_table,
properties->chg_mat,properties->Rchg_mat);
}

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2 changes: 1 addition & 1 deletion tightbind/prototypes.h
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Expand Up @@ -136,7 +136,7 @@ extern void construct_band_structure PROTO(
extern void eval_charge_matrix PROTO((cell_type *, eigenset_type,
hermetian_matrix_type, int, int *, real *,
real *));
extern void reduced_charge_mat PROTO((int, int, int *, real *, real *));
extern void reduced_charge_matrix PROTO((int, int, int *, real *, real *));
extern void check_a_cell PROTO((atom_type *, point_type, int, real, char *));
extern void check_nn_contacts PROTO((cell_type *, detail_type *details));
extern void build_distance_matrix PROTO((cell_type *, detail_type *details));
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