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direct support for coeff commands

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pair_coeff, bond_coeff, angle_coeff, dihedral_coeff, improper_coeff
This commit is contained in:
Jacob Gissinger
2021-01-25 20:08:25 -05:00
parent c7215b54be
commit 5d2e3b3ecb
6 changed files with 80 additions and 23 deletions
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src/label_map.h
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@ -46,7 +46,8 @@ class LabelMap : protected Pointers {
void merge_lmap(class LabelMap *, int); // copy another lmap into this one
void create_lmap2lmap(class LabelMap *, int); // index mapping between two lmaps
int find_or_create(std::string, std::vector<std::string> &, int); // look up type or create new type
int find(std::string, std::vector<std::string>, int); // look up type index
int find(std::string, int); // find numeric type of type label
int search(std::string, std::vector<std::string>, int); // look up type index
// input/output for atom class label map