Searched refs:gBound (Results 1 – 6 of 6) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/ |
| H A D | CasinoParser.cpp | 171 gBound.resize(NumberOfAtoms + 1); in getNumberOfAtoms()
217 getValues(is, gBound.begin(), gBound.end()); in getGaussianCenters()
218 for (int i = 0; i < gBound.size(); i++) in getGaussianCenters()
219 gBound[i] -= 1; in getGaussianCenters()
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| H A D | GaussianFCHKParser.cpp | 130 gBound.resize(NumberOfAtoms + 1); in parse()
635 gBound[0] = 0; in getGaussianCenters()
638 gBound[i + 1] = gBound[i] + dn[i]; in getGaussianCenters()
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| H A D | QPParser.cpp | 326 gBound.resize(NumberOfAtoms + 1); in getGaussianCenters()
461 gBound[i] = gtot; in getGaussianCenters()
475 gBound[NumberOfAtoms] = gtot; in getGaussianCenters()
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| H A D | QMCGaussianParserBase.h | 97 std::vector<int> gShell, gNumber, gBound; member
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| H A D | QMCGaussianParserBase.cpp | 93 gBound(0), in QMCGaussianParserBase()
156 gBound(0), in QMCGaussianParserBase()
481 for (int ig = gBound[iat]; ig < gBound[iat + 1]; ig++) in createBasisSet()
525 for (int ig = gBound[iat]; ig < gBound[iat + 1]; ig++) in createBasisSetWithHDF5()
1255 for (int ig = gBound[iat], n = 0; ig < gBound[iat + 1]; ig++, n++) in createCenterH5()
1279 for (int ig = gBound[iat], n = 0; ig < gBound[iat + 1]; ig++, n++) in createCenter()
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| H A D | GamesAsciiParser.cpp | 469 gBound.resize(NumberOfAtoms + 1); in getGaussianCenters()
717 gBound[i] = gtot; in getGaussianCenters()
729 gBound[NumberOfAtoms] = gtot; in getGaussianCenters()
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