Merge branch 'develop' into 'main'
Fix bug when reading stress with vaspreader. Added T to structure and adjusted... See merge request !17
No related branches found
No related tags found
Showing
- include/tadah/mlip/analytics/statistics.h 1 addition, 1 deletioninclude/tadah/mlip/analytics/statistics.h
- include/tadah/mlip/dataset_readers/vasp_outcar_reader.h 1 addition, 0 deletionsinclude/tadah/mlip/dataset_readers/vasp_outcar_reader.h
- include/tadah/mlip/descriptors_calc.h 0 additions, 3 deletionsinclude/tadah/mlip/descriptors_calc.h
- include/tadah/mlip/descriptors_calc.hpp 63 additions, 73 deletionsinclude/tadah/mlip/descriptors_calc.hpp
- include/tadah/mlip/design_matrix/design_matrix.h 2 additions, 2 deletionsinclude/tadah/mlip/design_matrix/design_matrix.h
- include/tadah/mlip/design_matrix/functions/basis_functions/dm_bf_base.h 10 additions, 7 deletions...mlip/design_matrix/functions/basis_functions/dm_bf_base.h
- include/tadah/mlip/design_matrix/functions/basis_functions/dm_bf_linear.h 4 additions, 4 deletions...ip/design_matrix/functions/basis_functions/dm_bf_linear.h
- include/tadah/mlip/design_matrix/functions/basis_functions/dm_bf_polynomial2.h 4 additions, 4 deletions...sign_matrix/functions/basis_functions/dm_bf_polynomial2.h
- include/tadah/mlip/design_matrix/functions/dm_f_all.h 1 addition, 1 deletioninclude/tadah/mlip/design_matrix/functions/dm_f_all.h
- include/tadah/mlip/design_matrix/functions/dm_function_base.h 11 additions, 9 deletions...ude/tadah/mlip/design_matrix/functions/dm_function_base.h
- include/tadah/mlip/design_matrix/functions/kernels/dm_kern_base.h 8 additions, 8 deletions...tadah/mlip/design_matrix/functions/kernels/dm_kern_base.h
- include/tadah/mlip/design_matrix/functions/kernels/dm_kern_linear.h 4 additions, 4 deletions...dah/mlip/design_matrix/functions/kernels/dm_kern_linear.h
- include/tadah/mlip/models/basis.h 2 additions, 2 deletionsinclude/tadah/mlip/models/basis.h
- include/tadah/mlip/models/m_blr.h 7 additions, 7 deletionsinclude/tadah/mlip/models/m_blr.h
- include/tadah/mlip/models/m_krr.h 7 additions, 7 deletionsinclude/tadah/mlip/models/m_krr.h
- include/tadah/mlip/models/m_tadah_base.h 3 additions, 3 deletionsinclude/tadah/mlip/models/m_tadah_base.h
- include/tadah/mlip/output/output.h 1 addition, 1 deletioninclude/tadah/mlip/output/output.h
- include/tadah/mlip/st_descriptors.h 2 additions, 2 deletionsinclude/tadah/mlip/st_descriptors.h
- include/tadah/mlip/structure.h 9 additions, 0 deletionsinclude/tadah/mlip/structure.h
- src/castep_castep_reader.cpp 9 additions, 1 deletionsrc/castep_castep_reader.cpp
Loading
Please register or sign in to comment