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atomes 1.2.1
atomes: an atomic scale modeling tool box
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Collaboration diagram for search_molecule: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 |