Merge branch 'develop' into 'main'
Develop See merge request !8
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- include/tadah/mlip/dataset_readers/castep_castep_reader.h 1 addition, 0 deletionsinclude/tadah/mlip/dataset_readers/castep_castep_reader.h
- include/tadah/mlip/dataset_readers/castep_md_reader.h 4 additions, 2 deletionsinclude/tadah/mlip/dataset_readers/castep_md_reader.h
- include/tadah/mlip/dataset_readers/dataset_reader.h 14 additions, 1 deletioninclude/tadah/mlip/dataset_readers/dataset_reader.h
- include/tadah/mlip/dataset_readers/dataset_reader_selector.h 34 additions, 0 deletionsinclude/tadah/mlip/dataset_readers/dataset_reader_selector.h
- include/tadah/mlip/dataset_readers/vasp_outcar_reader.h 3 additions, 1 deletioninclude/tadah/mlip/dataset_readers/vasp_outcar_reader.h
- include/tadah/mlip/dataset_readers/vasp_vasprun_reader.h 3 additions, 1 deletioninclude/tadah/mlip/dataset_readers/vasp_vasprun_reader.h
- include/tadah/mlip/descriptors_calc.hpp 3 additions, 1 deletioninclude/tadah/mlip/descriptors_calc.hpp
- include/tadah/mlip/design_matrix/design_matrix.h 200 additions, 196 deletionsinclude/tadah/mlip/design_matrix/design_matrix.h
- include/tadah/mlip/models/m_blr.h 217 additions, 217 deletionsinclude/tadah/mlip/models/m_blr.h
- include/tadah/mlip/models/m_krr.h 270 additions, 270 deletionsinclude/tadah/mlip/models/m_krr.h
- include/tadah/mlip/structure.h 10 additions, 2 deletionsinclude/tadah/mlip/structure.h
- include/tadah/mlip/structure_db.h 64 additions, 56 deletionsinclude/tadah/mlip/structure_db.h
- src/castep_castep_reader.cpp 71 additions, 8 deletionssrc/castep_castep_reader.cpp
- src/castep_md_reader.cpp 68 additions, 7 deletionssrc/castep_md_reader.cpp
- src/dataset_reader.cpp 4 additions, 0 deletionssrc/dataset_reader.cpp
- src/dataset_reader_selector.cpp 62 additions, 0 deletionssrc/dataset_reader_selector.cpp
- src/dm_bf_linear.cpp 2 additions, 1 deletionsrc/dm_bf_linear.cpp
- src/dm_bf_polynomial2.cpp 2 additions, 1 deletionsrc/dm_bf_polynomial2.cpp
- src/dm_kern_base.cpp 48 additions, 47 deletionssrc/dm_kern_base.cpp
- src/dm_kern_linear.cpp 43 additions, 42 deletionssrc/dm_kern_linear.cpp
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