atomes 1.1.14
atomes: an atomic scale modeling tool box
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Data Fields | |
int | id |
int | md |
int | multiplicity |
int * | fragments |
int | natoms |
int * | atoms |
int | nspec |
int * | species |
int | nbonds |
int ** | pbonds |
int | nangles |
int *** | pangles |
int ** | lgeo |
search_molecule * | next |
search_molecule * | prev |
search_molecule* next |
search_molecule* prev |