Searched refs:extra_bonds (Results 1 – 25 of 90) sorted by relevance
1234
211 extra_bonds = [ 1 3 2 4 1 4 ]282 extra_bonds = [ 12 6 12 15 14 15 11 14 ]
219 int *extra_bonds; in read_keyval() local221 extra_bonds = new int[nextra_bonds*2]; in read_keyval()223 extra_bonds[i] = keyval->intvalue("extra_bonds",i); in read_keyval()232 extra_bonds = 0; in read_keyval()234 generator_ = new IntCoorGen(molecule_, nextra_bonds, extra_bonds); in read_keyval()
36 extra_bonds = [ 2 5 ]
34 extra_bonds = [ 2 5 ]
15 consider using extra_bonds input
18 consider using extra_bonds input