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qmlcode / qmllib Public

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Feature/fix gradient kernels#27

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andersx wants to merge 18 commits intoqmlcode:mainqmlcode/qmllib:mainfrom

andersx:feature/fix-gradient-kernelsandersx/qmllib:feature/fix-gradient-kernelsCopy head branch name to clipboard

Conversation Commits18 (18)Checks Files changed

Closed

Feature/fix gradient kernels#27
andersx wants to merge 18 commits intoqmlcode:mainfrom
andersx:feature/fix-gradient-kernels

Commits

Commits on Feb 16, 2026

Fix CMake build system and remove legacy build files
andersx
committed
Add pybind11 bindings for Fortran solver functions
andersx
committed
Refactor fsolvers.f90 to eliminate code duplication
andersx
committed
Add pybind11 bindings for representations and utils modules
andersx
committed
Add input validation back to representation functions
andersx
committed
Add comprehensive input validation to all representation functions
andersx
committed
Remove example kernel files and build configuration
andersx
committed
Restore compiler optimization flags for all modules
andersx
committed
Merge pull request #1 from andersx/fix/cmake-build-system
andersx
authored
Add pybind11 bindings for kernels
andersx
authored
Convert gradient kernels from f2py to pybind11 (#3)
andersx
authored
Convert SLATM to pybind11 and remove ARAD representation (#4)
andersx
authored
WIP: Migrate FCHL representations from f2py to pybind11 (#5)
andersx
authored

Commits on Feb 17, 2026

Complete FCHL migration from f2py to pybind11 (#6)
andersx
authored
Fix BLAS linking for _fgradient_kernels and skip optional dependency tests
andersx
committed
Fix distance function wrappers to match pybind11 signatures
andersx
committed
Migrate fsvd_solve from f2py to pybind11
andersx
committed
Fix local kernel functions to handle arbitrary representation sizes
andersx
committed

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