Searched refs:NumberOfAlpha (Results 1 – 7 of 7) sorted by relevance
93 hin.read(NumberOfAlpha, "NbAlpha"); in parse()103 std::cout << "Number of alpha electrons: " << NumberOfAlpha << std::endl; in parse()184 ci_nea = NumberOfAlpha; in parse()
67 NumberOfAlpha = atoi(currentWords[0].c_str()); in parse()70 NumberOfBeta = NumberOfEls - NumberOfAlpha; in parse()71 SpinRestricted = (NumberOfAlpha == NumberOfBeta); in parse()481 s << NumberOfAlpha - NumberOfBeta; in createDeterminantSet()
64 NumberOfAlpha(0), in QMCGaussianParserBase()127 NumberOfAlpha(0), in QMCGaussianParserBase()293 NumberOfAlpha = NumberOfEls - NumberOfBeta; in setOccupationNumbers()317 for (int i = 0; i < NumberOfAlpha; i++) in setOccupationNumbers()328 nel[0] = NumberOfAlpha; in createElectronSet()550 up_size << NumberOfAlpha; in createDeterminantSetWithHDF5()630 up_size << NumberOfAlpha; in PrepareDeterminantSetFromHDF5()683 up_size << NumberOfAlpha; in createDeterminantSet()763 up_size << NumberOfAlpha; in createSPOSets()845 up_size << NumberOfAlpha; in createSPOSetsH5()[all …]
68 int NumberOfAlpha, NumberOfBeta; member
129 NumberOfAlpha = atoi(currentWords[7].c_str()); in parse()130 std::cout << "Number of alpha electrons: " << NumberOfAlpha << std::endl; in parse()144 NumberOfAlpha = atoi(currentWords[5].c_str()); in parse()145 std::cout << "Number of alpha electrons: " << NumberOfAlpha << std::endl; in parse()
93 NumberOfAlpha = atoi(currentWords[1].c_str()); in parse()94 std::cout << "Number of alpha electrons: " << NumberOfAlpha << std::endl; in parse()
82 NumberOfAlpha = nup; in parse()