| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/ |
| H A D | LCAOrbitalSetWithCorrection.h | 79 GGGMatrix_t& grad_grad_grad_logdet) override;
81 …ThirdDeriv(const ParticleSet& P, int first, int last, GGGMatrix_t& grad_grad_grad_logdet) override;
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| H A D | LCAOrbitalSetWithCorrection.cpp | 92 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
100 GGGMatrix_t& grad_grad_grad_logdet) in evaluateThirdDeriv() argument
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| H A D | LCAOrbitalSet.h | 133 GGGMatrix_t& grad_grad_grad_logdet) override;
200 …ThirdDeriv(const ParticleSet& P, int first, int last, GGGMatrix_t& grad_grad_grad_logdet) override;
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| H A D | LCAOrbitalSet.cpp | 571 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
578 evaluate_vghgh_impl(Tempgh, i, logdet, dlogdet, grad_grad_logdet, grad_grad_grad_logdet); in evaluate_notranspose()
589 evaluate_vghgh_impl(Tempghv, i, logdet, dlogdet, grad_grad_logdet, grad_grad_grad_logdet); in evaluate_notranspose()
649 …::evaluateThirdDeriv(const ParticleSet& P, int first, int last, GGGMatrix_t& grad_grad_grad_logdet) in evaluateThirdDeriv() argument
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/ |
| H A D | SPOSetProxyForMSD.cpp | 163 GGGMatrix_t& grad_grad_grad_logdet) in evaluate() argument
174 grad_grad_grad_logdet(p, i) = grad_grad_grad_psiM(p, q); in evaluate()
205 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
216 grad_grad_grad_logdet(p, i) = grad_grad_grad_psiM(p, q); in evaluate_notranspose()
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| H A D | SPOSetProxy.h | 84 GGGMatrix_t& grad_grad_grad_logdet);
99 GGGMatrix_t& grad_grad_grad_logdet) override;
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| H A D | SPOSetProxyForMSD.h | 92 GGGMatrix_t& grad_grad_grad_logdet);
107 GGGMatrix_t& grad_grad_grad_logdet) override;
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| H A D | SPOSetProxy.cpp | 117 GGGMatrix_t& grad_grad_grad_logdet) in evaluate() argument
138 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
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| H A D | DiracDeterminantWithBackflow.h | 221 GGGMatrix_t& grad_grad_grad_logdet);
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| H A D | DiracDeterminantWithBackflow.cpp | 98 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_SPO() argument
101 grad_grad_grad_logdet); in evaluate_SPO()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/BsplineFactory/ |
| H A D | BsplineSet.h | 212 GGGMatrix_t& grad_grad_grad_logdet) override in evaluate_notranspose() argument
219 GGGVector_t gh(grad_grad_grad_logdet[i], OrbitalSetSize); in evaluate_notranspose()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/ |
| H A D | SPOSet.cpp | 110 …::evaluateThirdDeriv(const ParticleSet& P, int first, int last, GGGMatrix_t& grad_grad_grad_logdet) in evaluateThirdDeriv() argument
145 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
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| H A D | RotatedSPOs.h | 284 GGGMatrix_t& grad_grad_grad_logdet) override in evaluate_notranspose() argument
286 …hi->evaluate_notranspose(P, first, last, logdet, dlogdet, grad_grad_logdet, grad_grad_grad_logdet); in evaluate_notranspose()
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| H A D | SPOSet.h | 324 … evaluateThirdDeriv(const ParticleSet& P, int first, int last, GGGMatrix_t& grad_grad_grad_logdet);
382 GGGMatrix_t& grad_grad_grad_logdet);
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| H A D | EinsplineSet.cpp | 1444 RealGGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
1535 grad_grad_grad_logdet(i, psiIndex)[n][m] = imag(StorageGradHessVector[j][n](m)); in evaluate_notranspose()
1544 grad_grad_grad_logdet(i, psiIndex)[n][m] = real(StorageGradHessVector[j][n](m)); in evaluate_notranspose()
1556 grad_grad_grad_logdet(i, psiIndex)[n][m] = real(StorageGradHessVector[j][n](m)); in evaluate_notranspose()
1571 ComplexGGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
1584 … ComplexGGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
1650 convert(StorageGradHessVector[j], grad_grad_grad_logdet(i, j)); in evaluate_notranspose()
1663 RealGGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
1731 grad_grad_grad_logdet(i, psiIndex) = dot(StorageGradHessVector[j], PrimLattice.G); in evaluate_notranspose()
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| H A D | EinsplineSet.h | 381 RealGGGMatrix_t& grad_grad_grad_logdet);
439 ComplexGGGMatrix_t& grad_grad_grad_logdet);
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| H A D | CompositeSPOSet.cpp | 217 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/ElectronGas/ |
| H A D | ElectronGasComplexOrbitalBuilder.h | 94 GGGMatrix_t& grad_grad_grad_logdet) override in evaluate_notranspose()
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| H A D | ElectronGasOrbitalBuilder.h | 222 GGGMatrix_t& grad_grad_grad_logdet) override in evaluate_notranspose()
229 GGGType* ggg = grad_grad_grad_logdet[i]; in evaluate_notranspose()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/HarmonicOscillator/ |
| H A D | SHOSet.cpp | 539 …::evaluateThirdDeriv(const ParticleSet& P, int first, int last, GGGMatrix_t& grad_grad_grad_logdet) in evaluateThirdDeriv() argument
560 GGGMatrix_t& grad_grad_grad_logdet) in evaluate_notranspose() argument
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