Dealing with ATOMS and WATOMS
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- include/tadah/mlip/descriptors_calc.h 1 addition, 0 deletionsinclude/tadah/mlip/descriptors_calc.h
- include/tadah/mlip/descriptors_calc.hpp 380 additions, 367 deletionsinclude/tadah/mlip/descriptors_calc.hpp
- include/tadah/mlip/structure_db.h 9 additions, 3 deletionsinclude/tadah/mlip/structure_db.h
- src/structure_db.cpp 50 additions, 8 deletionssrc/structure_db.cpp
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