Searched refs:spingrad_iat (Results 1 – 7 of 7) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/DMC/ |
| H A D | SODMCUpdatePbyPFast.cpp | 81 ComplexType spingrad_iat; in advanceWalker() local
82 GradType grad_iat = Psi.evalGradWithSpin(W, iat, spingrad_iat); in advanceWalker()
86 DriftModifier->getDrift(tauovermass / spinMass, spingrad_iat, ds); in advanceWalker()
98 ValueType ratio = Psi.calcRatioGradWithSpin(W, iat, grad_iat, spingrad_iat); in advanceWalker()
113 DriftModifier->getDrift(tauovermass / spinMass, spingrad_iat, ds); in advanceWalker()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/ |
| H A D | SlaterDet.cpp | 94 …laterDet::ratioGradWithSpin(ParticleSet& P, int iat, GradType& grad_iat, ComplexType& spingrad_iat) in ratioGradWithSpin() argument
96 return Dets[getDetID(iat)]->ratioGradWithSpin(P, iat, grad_iat, spingrad_iat); in ratioGradWithSpin()
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| H A D | DiracDeterminant.cpp | 166 … ComplexType& spingrad_iat) in ratioGradWithSpin() argument
190 spingrad_iat += static_cast<ValueType>(static_cast<PsiValueType>(1.0) / curRatio) * in ratioGradWithSpin()
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| H A D | SlaterDet.h | 125 ComplexType& spingrad_iat) override;
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/ |
| H A D | TrialWaveFunction.cpp | 624 ComplexType& spingrad_iat) in calcRatioGradWithSpin() argument
628 spingrad_iat = 0.0; in calcRatioGradWithSpin()
633 r *= Z[i]->ratioGradWithSpin(P, iat, grad_iat, spingrad_iat); in calcRatioGradWithSpin()
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| H A D | WaveFunctionComponent.h | 309 …ValueType ratioGradWithSpin(ParticleSet& P, int iat, GradType& grad_iat, ComplexType& spingrad_iat) in ratioGradWithSpin()
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| H A D | TrialWaveFunction.h | 321 …Type calcRatioGradWithSpin(ParticleSet& P, int iat, GradType& grad_iat, ComplexType& spingrad_iat);
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