Searched refs:SuperTwist (Results 1 – 4 of 4) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/ |
| H A D | LCAOrbitalBuilder.cpp | 114 SuperTwist(0.0), in LCAOrbitalBuilder()
125 aAttrib.add(SuperTwist, "twist"); in LCAOrbitalBuilder()
746 PosType SuperTwist(0.0); in putPBCFromH5() local
781 aAttrib.add(SuperTwist, "twist"); in putPBCFromH5()
794 …if (std::abs(SuperTwistH5[0] - SuperTwist[0]) >= 1e-6 || std::abs(SuperTwistH5[1] - SuperTwist[1])… in putPBCFromH5()
795 std::abs(SuperTwistH5[2] - SuperTwist[2]) >= 1e-6) in putPBCFromH5()
807 LoadFullCoefsFromH5(hin, setVal, SuperTwist, Ctemp, MultiDet); in putPBCFromH5()
889 PosType& SuperTwist, in LoadFullCoefsFromH5() argument
934 PosType& SuperTwist, in LoadFullCoefsFromH5() argument
941 …(std::abs(SuperTwist[0]) >= 1e-6 || std::abs(SuperTwist[1]) >= 1e-6 || std::abs(SuperTwist[2]) >= … in LoadFullCoefsFromH5()
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| H A D | LCAOrbitalBuilder.h | 59 PosType SuperTwist; variable
88 PosType& SuperTwist,
92 …void LoadFullCoefsFromH5(hdf_archive& hin, int setVal, PosType& SuperTwist, Matrix<RealType>& Crea…
93 …void EvalPeriodicImagePhaseFactors(PosType SuperTwist, std::vector<RealType>& LocPeriodicImagePhas…
94 void EvalPeriodicImagePhaseFactors(PosType SuperTwist,
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| H A D | SoaAtomicBasisSet.h | 41 TinyVector<double, 3> SuperTwist; member
108 SuperTwist = supertwist; in setPBCParams()
158 RealType phasearg = SuperTwist[0] * Tv[0] + SuperTwist[1] * Tv[1] + SuperTwist[2] * Tv[2]; in evaluateVGL()
624 RealType phasearg = SuperTwist[0] * Tv[0] + SuperTwist[1] * Tv[1] + SuperTwist[2] * Tv[2]; in evaluateV()
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| H A D | SoaLocalizedBasisSet.h | 56 PosType SuperTwist; member
76 : ions_(ions), myTableIndex(els.addTable(ions, true)), SuperTwist(0.0) in SoaLocalizedBasisSet()
108 SuperTwist = Sup_Twist; in setPBCParams()
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