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Add multiple cutoff support for b1 and b3, previously it was only supported in b2.
ace_binding.cpp
: add python interface support of b1/b3 multiple cutoffsb1.h
,b1.cpp
,b3.h
: add init functions to allow input of a cutoff matrixb3.cpp
: changecomplex_single_bond
tocomplex_single_bond_multiple_cutoffs
, such that multiple cutoffs are allowed. The modification is the same as our b2 codeb3.cpp
: addwrite_to_file
to allow writing lammps coefficients header for b3 (although we don't include b3 lammps code in this PR)