| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/PlaneWave/ |
| H A D | PWOrbitalSet.cpp | 57 void PWOrbitalSet::addVector(const std::vector<ComplexType>& coefs, int jorb) in addVector()
74 void PWOrbitalSet::addVector(const std::vector<RealType>& coefs, int jorb) in addVector()
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| H A D | PWRealOrbitalSet.cpp | 61 void PWRealOrbitalSet::addVector(const std::vector<RealType>& coefs, int jorb) in addVector()
78 void PWRealOrbitalSet::addVector(const std::vector<ComplexType>& coefs, int jorb) in addVector()
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| /dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/ |
| H A D | Frame.cpp | 948 for (int jorb=0; jorb<imaxorb; jorb++) { in ParseGAMESSGuessVectors() local
986 ScanErr, LinePos, jorb; in ParseGAMESSMCSCFVectors() local
1178 ScanErr, LinePos, jorb; in ParseGAMESSMCSCFDiabaticVectors() local
1279 long iorb=0, imaxorb, maxfuncs, TestOrb, LinePos, ScanErr, jorb, OrbitalOffset=0; in ParseGAMESSEigenVectors() local
1560 long iorb, jorb, imaxorb=0, NumNOrbs=0, TestOrb, in ParseGAMESSCIVectors() local
1668 long iorb, jorb, imaxorb=0, NumNOrbs=0, TestOrb, in ParseGAMESSEOM_CC_Vectors() local
1768 long iorb, jorb, imaxorb=0, NumNOrbs=0, TestOrb, in ParseUHFNOs() local
1863 long iorb, jorb, imaxorb=0, NumNOrbs=0, TestOrb, in ParseTDDFTNOs() local
1988 for (long jorb=0; jorb<imaxorb; jorb++) { in ParseGAMESSLMOs() local
2028 for (long jorb=0; jorb<imaxorb; jorb++) { in ParseGAMESSLMOs() local
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| /dports/science/tinker/tinker/source/ |
| H A D | orbital.f | 32 integer iorb,jorb,korb local
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| H A D | picalc.f | 29 integer iorb,jorb local
150 integer iorb,jorb,nfill local
572 integer iorb,jorb local
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| /dports/science/octopus/octopus-10.5/src/scf/ |
| H A D | lcao_inc.F90 | 493 integer :: ibasis, jbasis, iorb, jorb, norbs, block_evec_max, block_evec_size local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_admm_utils.F | 442 iorb_block, ispin, iw, jloc, jorb, & local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | quad-faster.c | 79 integer jorb = inforb_.norb[jsym]; in commute_d_x() local
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| H A D | quad-open.c | 942 integer jorb = inforb_.norb[jsym]; in commute_den_x() local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_admm_utils.F | 618 iorb_block, ispin, iw, jloc, jorb, & local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/gw/Transfer/ |
| H A D | mkpol.f90 | 1446 integer :: iorb,jorb,iat,itpaw,ikv,jkv local
1489 integer :: iorb,jorb,iat,itpaw,ikv,jkv,ii local
1790 integer :: natom,iorb,jorb,iat local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/gw/Transfer/ |
| H A D | mkpol.f90 | 1446 integer :: iorb,jorb,iat,itpaw,ikv,jkv local
1489 integer :: iorb,jorb,iat,itpaw,ikv,jkv,ii local
1790 integer :: natom,iorb,jorb,iat local
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