Searched defs:net_charge (Results 1 – 3 of 3) sorted by relevance
77 double net_charge; member in MPQC::Chemistry_Molecule_impl
260 def __init__(self,structure=None,net_charge=0,net_spin=0,particles=None,**valency): argument377 def generate_electrons(self,net_charge=0,net_spin=0): argument
2667 f64 net_charge = 0.0; i32s nneg = 0; i32s npos = 0; in SetupCharges() local