Searched refs:_sp3sp2 (Results 1 – 2 of 2) sorted by relevance
839 _sp3sp2.clear(); in ParseLine()842 _sp3sp2.push_back(DEG_TO_RAD*atof(j->c_str())); in ParseLine()1042 vals = _sp3sp2; in GetRotorIncrements()
106 …std::vector<double> _sp3sp2; //!< Default dihedral angles to check for generic sp3 - sp2 hy… variable