Searched refs:ci_neb (Results 1 – 6 of 6) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/ |
| H A D | GaussianFCHKParser.cpp | 457 if (n1 != ci_neb) in parse()
472 ci_neb = 0; in parse()
475 ci_neb++; in parse()
477 ci_ncb = ndown - ci_neb; in parse()
532 ci_neb = currentWords.size(); in parse()
533 ci_ncb = ndown - ci_neb; in parse()
534 … std::cout << "ncb, neb, nstates: " << ci_ncb << " " << ci_neb << " " << ci_nstates << std::endl; in parse()
538 if (currentWords.size() != ci_neb) in parse()
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| H A D | GamesAsciiParser.cpp | 1356 ci_neb = 0; in getCSF()
1359 ci_neb++; in getCSF()
1428 ci_nea = ci_neb = 0; in getCI()
1434 ci_neb++; in getCI()
1448 CIbeta[i].insert(0, std::string(neb - ci_neb, '1')); in getCI()
1451 ci_neb = neb; in getCI()
1495 ci_neb = atoi(currentWords[6].c_str()); in getORMAS()
1505 if (ci_ncb != neb - ci_neb) in getORMAS()
1507 …std::cerr << "Inconsistent number of core electrons: " << ci_ncb << " " << neb - ci_neb << std::en… in getORMAS()
1512 int nskip = ci_nea + ci_neb + 2; in getORMAS()
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| H A D | LCAOHDFParser.cpp | 185 ci_neb = NumberOfBeta; in parse()
187 ci_ncb = neb - ci_neb; in parse()
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| H A D | QMCGaussianParserBase.h | 72 int ci_size, ci_nca, ci_ncb, ci_nea, ci_neb, ci_nstates; member
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| H A D | QPParser.cpp | 594 ci_nea = ci_neb = 0; in getQPCI()
600 ci_neb++; in getQPCI()
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| H A D | QMCGaussianParserBase.cpp | 75 ci_neb(0), in QMCGaussianParserBase()
138 ci_neb(0), in QMCGaussianParserBase()
934 cineb << ci_neb; in createMultiDeterminantSetCIHDF5()
1046 cineb << ci_neb; in createMultiDeterminantSet()
1163 cineb << ci_neb; in createMultiDeterminantSet()
2309 for (int i = ci_neb; i < ci_nstates; i++) in numberOfExcitationsCSF()
2404 cineb << ci_neb; in createMultiDeterminantSetFromH5()
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