StructureDB to check ATOMS and WATOMS consistency and set defaults if needed
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- include/tadah/mlip/structure.h 2 additions, 2 deletionsinclude/tadah/mlip/structure.h
- include/tadah/mlip/structure_db.h 11 additions, 4 deletionsinclude/tadah/mlip/structure_db.h
- src/structure.cpp 1 addition, 2 deletionssrc/structure.cpp
- src/structure_db.cpp 94 additions, 42 deletionssrc/structure_db.cpp
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