Searched refs:RnlID (Results 1 – 4 of 4) sorted by relevance
60 std::map<std::string, int> RnlID; variable332 if (rnl_it == RnlID.end()) in createAOSet()334 int nl = aos->RnlID.size(); in createAOSet()336 RnlID[rnl] = nl; in createAOSet()452 if (rnl_it == RnlID.end()) in createAOSetH5()454 int nl = aos->RnlID.size(); in createAOSetH5()456 RnlID[rnl] = nl; in createAOSetH5()490 int l = aos->RnlID[nl][q_l]; in expandYlm()532 int l = aos->RnlID[nl][q_l]; in expandYlm()562 int l = aos->RnlID[nl][q_l]; in expandYlm()[all …]
130 m_orbitals->RnlID.push_back(nlms);143 m_orbitals->RnlID.push_back(nlms);
364 m_orbitals->RnlID.push_back(m_nlms); in addGaussian()383 m_orbitals->RnlID.push_back(m_nlms); in addGaussianH5()433 m_orbitals->RnlID.push_back(m_nlms); in addSlater()
55 std::vector<QuantumNumberType> RnlID; member120 tempS.resize(std::max(Ylm.size(), RnlID.size())); in setBasisSetSize()138 s_orbitals[i] = (RnlID[NL[i]][1] == 0); in queryOrbitalsForSType()