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Searched refs:CIalpha (Results 1 – 6 of 6) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/
H A DQPParser.cpp568 CIalpha.clear(); in getQPCI()
571 CIalpha.resize(ci_size); in getQPCI()
589 CIalpha[i] = currentWords[0]; in getQPCI()
595 for (int i = 0; i < CIalpha[0].size(); i++) in getQPCI()
596 if (CIalpha[0].at(i) == '1') in getQPCI()
601 if (CIalpha[0].size() != CIbeta[0].size()) in getQPCI()
613 ci_nstates = CIalpha[0].size(); in getQPCI()
H A DGamesAsciiParser.cpp1384 CIalpha.clear(); in getCI()
1422 CIalpha.push_back(currentWords[0]); in getCI()
1429 for (int i = 0; i < CIalpha[0].size(); i++) in getCI()
1430 if (CIalpha[0].at(i) == '1') in getCI()
1435 if (CIalpha[0].size() != CIbeta[0].size()) in getCI()
1445 for (int i = 0; i < CIalpha.size(); i++) in getCI()
1446 CIalpha[i].insert(0, std::string(nea - ci_nea, '1')); in getCI()
1453 ci_nstates = CIalpha[0].size(); in getCI()
1463 CIalpha.clear(); in getORMAS()
1538 CIalpha.push_back(dummy_alpha); in getORMAS()
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H A DGaussianFCHKParser.cpp282 CIalpha.clear(); in parse()
411 CIalpha.resize(CIcoeff.size()); in parse()
479 CIalpha[it->second] = alp; in parse()
498 CIalpha.resize(CIcoeff.size()); in parse()
550 CIalpha[it->second] = alp; in parse()
572 … std::cout << " size of CIalpha,CIbeta: " << CIalpha.size() << " " << CIbeta.size() << std::endl; in parse()
H A DLCAOHDFParser.cpp175 CIalpha.clear(); in parse()
178 CIalpha.resize(ci_size); in parse()
H A DQMCGaussianParserBase.h106 std::vector<std::string> CIalpha, CIbeta; member
H A DQMCGaussianParserBase.cpp950 if (CIcoeff.size() != CIalpha.size() || CIcoeff.size() != CIbeta.size()) in createMultiDeterminantSetCIHDF5()
978 std::string loc_alpha = CIalpha[i].substr(0, ci_nstates); in createMultiDeterminantSetCIHDF5()
1178 if (CIcoeff.size() != CIalpha.size() || CIcoeff.size() != CIbeta.size()) in createMultiDeterminantSet()
1209 … xmlNewProp(ci, (const xmlChar*)"alpha", (const xmlChar*)CIalpha[i].substr(0, ci_nstates).c_str()); in createMultiDeterminantSet()
2429 if (CIcoeff.size() != CIalpha.size() || CIcoeff.size() != CIbeta.size()) in createMultiDeterminantSetFromH5()