Searched refs:BondedAtom (Results 1 – 1 of 1) sorted by relevance
94 long BondedAtom, AngleAtom, DihedralAtom, i; in GuessInit() local98 BondedAtom = 0; in GuessInit()114 AngleAtom = BondedAtom; in GuessInit()115 BondedAtom = i; in GuessInit()137 BondedAtom = ConnectionAtoms[3*iatom]; in GuessInit()164 ConnectionAtoms[3*iatom] = BondedAtom; in GuessInit()169 (ConnectionAtoms[3*iatom+1]!=BondedAtom)) { in GuessInit()174 … if ((BondedAtom > 0)&&(ConnectionAtoms[3*BondedAtom]!=BondedAtom)&&(lFrame->Atoms[iatom].Type>1)&& in GuessInit()190 …if ((BondedAtom > 2)&&(ConnectionAtoms[3*BondedAtom+1]!=AngleAtom)&&(lFrame->Atoms[iatom].Type>1)&& in GuessInit()233 long BondedAtom, AngleAtom, DihedralAtom; in UpdateInternalValuesAtom() local[all …]