Merge branch 'develop' into 'main'
Develop See merge request !6
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- CMakeLists.txt 1 addition, 0 deletionsCMakeLists.txt
- external/RapidXml/license.txt 52 additions, 0 deletionsexternal/RapidXml/license.txt
- external/RapidXml/manual.html 406 additions, 0 deletionsexternal/RapidXml/manual.html
- external/RapidXml/rapidxml.hpp 2596 additions, 0 deletionsexternal/RapidXml/rapidxml.hpp
- external/RapidXml/rapidxml_iterators.hpp 174 additions, 0 deletionsexternal/RapidXml/rapidxml_iterators.hpp
- external/RapidXml/rapidxml_print.hpp 421 additions, 0 deletionsexternal/RapidXml/rapidxml_print.hpp
- external/RapidXml/rapidxml_utils.hpp 122 additions, 0 deletionsexternal/RapidXml/rapidxml_utils.hpp
- include/tadah/mlip/dataset_readers/dataset_reader.h 73 additions, 0 deletionsinclude/tadah/mlip/dataset_readers/dataset_reader.h
- include/tadah/mlip/dataset_readers/outcar_reader.h 77 additions, 0 deletionsinclude/tadah/mlip/dataset_readers/outcar_reader.h
- include/tadah/mlip/dataset_readers/vasprun_reader.h 164 additions, 0 deletionsinclude/tadah/mlip/dataset_readers/vasprun_reader.h
- include/tadah/mlip/structure.h 6 additions, 0 deletionsinclude/tadah/mlip/structure.h
- include/tadah/mlip/structure_db.h 6 additions, 0 deletionsinclude/tadah/mlip/structure_db.h
- src/outcar_reader.cpp 187 additions, 0 deletionssrc/outcar_reader.cpp
- src/structure.cpp 16 additions, 0 deletionssrc/structure.cpp
- src/structure_db.cpp 16 additions, 0 deletionssrc/structure_db.cpp
- src/vasprun_reader.cpp 236 additions, 0 deletionssrc/vasprun_reader.cpp
- tests/test_dataset_readers.cpp 76 additions, 0 deletionstests/test_dataset_readers.cpp
- tests/tests_data/valid_outcars/OUTCAR_1 4657 additions, 0 deletionstests/tests_data/valid_outcars/OUTCAR_1
- tests/tests_data/valid_outcars/OUTCAR_2 4642 additions, 0 deletionstests/tests_data/valid_outcars/OUTCAR_2
- tests/tests_data/valid_vaspruns/vasprun_1.xml 6240 additions, 0 deletionstests/tests_data/valid_vaspruns/vasprun_1.xml
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