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Searched refs:CSFocc (Results 1 – 3 of 3) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/
H A DGamesAsciiParser.cpp1007 CSFocc.clear(); in getCSF()
1053 CSFocc.push_back(currentWords[2]); in getCSF()
1057 CSFocc.push_back(currentWords[2]); in getCSF()
1065 CSFocc.push_back(tmp); in getCSF()
1087 for (int i = 0; i < CSFocc.size(); i++) in getCSF()
1089 int max = CSFocc[i].size(); in getCSF()
1090 for (int k = CSFocc[i].size() - 1; k >= 0; k--) in getCSF()
1092 if (CSFocc[i][k] == '1' || CSFocc[i][k] == '2') in getCSF()
H A DQMCGaussianParserBase.h107 std::vector<std::string> CSFocc; member
H A DQMCGaussianParserBase.cpp1057 for (int i = 0; i < CSFocc.size(); i++) in createMultiDeterminantSet()
1059 CIexcitLVL.push_back(numberOfExcitationsCSF(CSFocc[i])); in createMultiDeterminantSet()
1129 … xmlNewProp(csf, (const xmlChar*)"occ", (const xmlChar*)CSFocc[nq].substr(0, ci_nstates).c_str()); in createMultiDeterminantSet()