CASTEP .castep reader with tests
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- include/tadah/mlip/dataset_readers/castep_castep_reader.h 89 additions, 0 deletionsinclude/tadah/mlip/dataset_readers/castep_castep_reader.h
- src/castep_castep_reader.cpp 218 additions, 0 deletionssrc/castep_castep_reader.cpp
- src/vasp_outcar_reader.cpp 1 addition, 1 deletionsrc/vasp_outcar_reader.cpp
- tests/test_dataset_readers.cpp 26 additions, 0 deletionstests/test_dataset_readers.cpp
- tests/tests_data/valid_castep_castep/combined.castep 5544 additions, 0 deletionstests/tests_data/valid_castep_castep/combined.castep
- tests/tests_data/valid_castep_castep/geom.castep 2177 additions, 0 deletionstests/tests_data/valid_castep_castep/geom.castep
- tests/tests_data/valid_castep_castep/md_no_stress.castep 2250 additions, 0 deletionstests/tests_data/valid_castep_castep/md_no_stress.castep
- tests/tests_data/valid_castep_castep/md_stress.castep 1117 additions, 0 deletionstests/tests_data/valid_castep_castep/md_stress.castep
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