Searched defs:new_charge (Results 1 – 7 of 7) sorted by relevance
80 Array<Real,3> new_charge; member
59 Array<Real,3> new_charge; member
132 def set_charge(self, new_charge=0.0): argument
213 double new_charge = 0.0; in normalize_charge() local
1483 const std::string new_charge = std::to_string( loadable + loaded ); in fuel_bionic_with() local
2640 int num_del_arom_bonds, num_tot_arom_bonds, new_charge; in DisconnectOneLigand() local