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QMCPACK
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QMCPACK
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This is the complete list of members for DiracDeterminantBase, including all inherited members.
| acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false)=0 | WaveFunctionComponent | pure virtual |
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
| BufferTimer | DiracDeterminantBase | protected |
| BufferType typedef | WaveFunctionComponent | |
| Bytes_in_WFBuffer | WaveFunctionComponent | |
| checkG(const GradType &g) | DiracDeterminantBase | inlineprotectedstatic |
| checkOutVariables(const opt_variables_type &active) final | DiracDeterminantBase | inlinevirtual |
| checkSanity() const | WaveFunctionComponent | inlinevirtual |
| completeUpdates() | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::completeUpdates() | WaveFunctionComponent | inlinevirtual |
| ComplexType typedef | QMCTraits | |
| copyFromBuffer(ParticleSet &P, WFBufferType &buf)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::copyFromBuffer(ParticleSet &P, WFBufferType &buf)=0 | WaveFunctionComponent | pure virtual |
| createResource(ResourceCollection &collection) const | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::createResource(ResourceCollection &collection) const | WaveFunctionComponent | inlinevirtual |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| DiracDeterminantBase(const std::string &class_name, std::unique_ptr< SPOSet > &&spos, int first, int last) | DiracDeterminantBase | inline |
| DiracDeterminantBase(const DiracDeterminantBase &s)=delete | DiracDeterminantBase | |
| dummy_vmt | DiracDeterminantBase | protected |
| evalGrad(ParticleSet &P, int iat) | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::evalGrad(ParticleSet &P, int iat) | WaveFunctionComponent | inlinevirtual |
| evalGradSource(ParticleSet &P, ParticleSet &source, int iat) | DiracDeterminantBase | inline |
| evalGradSource(ParticleSet &P, ParticleSet &source, int iat, TinyVector< ParticleSet::ParticleGradient, OHMMS_DIM > &grad_grad, TinyVector< ParticleSet::ParticleLaplacian, OHMMS_DIM > &lapl_grad) | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::evalGradSource(ParticleSet &P, ParticleSet &source, int iat) | WaveFunctionComponent | inlinevirtual |
| qmcplusplus::WaveFunctionComponent::evalGradSource(ParticleSet &P, ParticleSet &source, int iat, TinyVector< ParticleSet::ParticleGradient, OHMMS_DIM > &grad_grad, TinyVector< ParticleSet::ParticleLaplacian, OHMMS_DIM > &lapl_grad) | WaveFunctionComponent | inlinevirtual |
| evalGradWithSpin(ParticleSet &P, int iat, ComplexType &spingrad) override | DiracDeterminantBase | inlinevirtual |
| evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, int offset, Matrix< RealType > &dlogpsi, Array< GradType, 3 > &dG, Matrix< RealType > &dL) | DiracDeterminantBase | inlinevirtual |
| evaluateDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::evaluateDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)=0 | WaveFunctionComponent | pure virtual |
| evaluateDerivativesWF(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi) override | DiracDeterminantBase | inlinevirtual |
| evaluateDerivRatios(const VirtualParticleSet &VP, const opt_variables_type &optvars, std::vector< ValueType > &ratios, Matrix< ValueType > &dratios) | WaveFunctionComponent | virtual |
| evaluateGL(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L, bool fromscratch) | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::evaluateGL(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L, bool fromscratch) | WaveFunctionComponent | virtual |
| evaluateGradDerivatives(const ParticleSet::ParticleGradient &G_in, std::vector< ValueType > &dgradlogpsi) | WaveFunctionComponent | inlinevirtual |
| evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all) | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all) | WaveFunctionComponent | inlinevirtual |
| evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L)=0 | WaveFunctionComponent | pure virtual |
| evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios) | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| evaluateSpinorRatios(const VirtualParticleSet &VP, const std::pair< ValueVector, ValueVector > &spinor_multiplier, std::vector< ValueType > &ratios) | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::evaluateSpinorRatios(const VirtualParticleSet &VP, const std::pair< ValueVector, ValueVector > &spinor_multiplier, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| extractOptimizableObjectRefs(UniqueOptObjRefs &opt_obj_refs) final | DiracDeterminantBase | inlinevirtual |
| finalizeOptimization() | WaveFunctionComponent | inlinevirtual |
| FirstIndex | DiracDeterminantBase | protected |
| FullPrecRealType typedef | QMCTraits | |
| FullPrecValueType typedef | QMCTraits | |
| get_log_value() const | WaveFunctionComponent | inline |
| getClassName() const =0 | WaveFunctionComponent | pure virtual |
| getFirstIndex() const | DiracDeterminantBase | inline |
| getLastIndex() const | DiracDeterminantBase | inline |
| getName() const | WaveFunctionComponent | inline |
| getPhi() const | DiracDeterminantBase | inline |
| getPsiMinv() | DiracDeterminantBase | inlinevirtual |
| getValue() const | WaveFunctionComponent | inline |
| GradMatrix typedef | WaveFunctionComponent | |
| GradType typedef | QMCTraits | |
| HessType typedef | WaveFunctionComponent | |
| HessVector typedef | WaveFunctionComponent | |
| IndexType typedef | QMCTraits | |
| InverseTimer | DiracDeterminantBase | protected |
| isFermionic() const final | DiracDeterminantBase | inlinevirtual |
| isMultiDet() const | WaveFunctionComponent | inlinevirtual |
| isOptimizable() const final | DiracDeterminantBase | inlinevirtual |
| KECorrection() | WaveFunctionComponent | virtual |
| LastIndex | DiracDeterminantBase | protected |
| log_value_ | WaveFunctionComponent | protected |
| LogValue typedef | WaveFunctionComponent | |
| makeClone(ParticleSet &tqp) const final | DiracDeterminantBase | inlinevirtual |
| makeCopy(std::unique_ptr< SPOSet > &&spo) const =0 | DiracDeterminantBase | pure virtual |
| mw_accept_rejectMove(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, const std::vector< bool > &isAccepted, bool safe_to_delay=false) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_accept_rejectMove(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, const std::vector< bool > &isAccepted, bool safe_to_delay=false) const | WaveFunctionComponent | virtual |
| mw_calcRatio(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_calcRatio(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios) const | WaveFunctionComponent | virtual |
| mw_completeUpdates(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_completeUpdates(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | virtual |
| mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const int iat, TWFGrads< CT > &grads_now) const | DiracDeterminantBase | |
| mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const int iat, TWFGrads< CT > &grads_now) const | WaveFunctionComponent | |
| qmcplusplus::WaveFunctionComponent::mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now) const | WaveFunctionComponent | virtual |
| mw_evalGradWithSpin(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now, std::vector< ComplexType > &spingrad_now) const | WaveFunctionComponent | virtual |
| mw_evaluateGL(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list, bool fromscratch) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_evaluateGL(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list, bool fromscratch) const | WaveFunctionComponent | virtual |
| mw_evaluateLog(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_evaluateLog(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list) const | WaveFunctionComponent | virtual |
| mw_evaluateRatios(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, std::vector< std::vector< ValueType >> &ratios) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_evaluateRatios(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, std::vector< std::vector< ValueType >> &ratios) const | WaveFunctionComponent | virtual |
| mw_prepareGroup(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int ig) const | WaveFunctionComponent | virtual |
| mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, TWFGrads< CT > &grad_new) const | DiracDeterminantBase | |
| mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, std::vector< GradType > &grad_new) const | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, TWFGrads< CT > &grad_new) const | WaveFunctionComponent | |
| qmcplusplus::WaveFunctionComponent::mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, std::vector< GradType > &grad_new) const | WaveFunctionComponent | virtual |
| mw_ratioGradWithSpin(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, std::vector< GradType > &grad_new, std::vector< ComplexType > &spingrad_new) const | WaveFunctionComponent | virtual |
| mw_recompute(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::vector< bool > &recompute) const | WaveFunctionComponent | virtual |
| my_name_ | WaveFunctionComponent | protected |
| myVars | WaveFunctionComponent | |
| NumOrbitals | DiracDeterminantBase | protected |
| NumPtcls | DiracDeterminantBase | protected |
| operator=(const DiracDeterminantBase &s)=delete | DiracDeterminantBase | |
| ORB_ALLWALKER enum value | WaveFunctionComponent | |
| ORB_PBYP_ALL enum value | WaveFunctionComponent | |
| ORB_PBYP_PARTIAL enum value | WaveFunctionComponent | |
| ORB_PBYP_RATIO enum value | WaveFunctionComponent | |
| ORB_WALKER enum value | WaveFunctionComponent | |
| Phi | DiracDeterminantBase | protected |
| PosType typedef | QMCTraits | |
| prepareGroup(ParticleSet &P, int ig) | WaveFunctionComponent | inlinevirtual |
| PropertySetType typedef | QMCTraits | |
| PsiValue typedef | WaveFunctionComponent | |
| PtclGrpIndexes typedef | QMCTraits | |
| QTBase typedef | QMCTraits | |
| QTFull typedef | QMCTraits | |
| ratio(ParticleSet &P, int iat)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::ratio(ParticleSet &P, int iat)=0 | WaveFunctionComponent | pure virtual |
| ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) | WaveFunctionComponent | virtual |
| ratioGradWithSpin(ParticleSet &P, int iat, GradType &grad_iat, ComplexType &spingrad) override | DiracDeterminantBase | inlinevirtual |
| RatioTimer | DiracDeterminantBase | protected |
| RealMatrix_t typedef | WaveFunctionComponent | |
| RealType typedef | QMCTraits | |
| recompute(const ParticleSet &P) | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::recompute(const ParticleSet &P) | WaveFunctionComponent | virtual |
| registerData(ParticleSet &P, WFBufferType &buf)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::registerData(ParticleSet &P, WFBufferType &buf)=0 | WaveFunctionComponent | pure virtual |
| registerTWFFastDerivWrapper(const ParticleSet &P, TWFFastDerivWrapper &twf) const override | DiracDeterminantBase | inlinevirtual |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | DiracDeterminantBase | inline |
| qmcplusplus::WaveFunctionComponent::releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
| restore(int iat)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::restore(int iat)=0 | WaveFunctionComponent | pure virtual |
| SPOVGLTimer | DiracDeterminantBase | protected |
| SPOVTimer | DiracDeterminantBase | protected |
| TensorType typedef | QMCTraits | |
| updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false)=0 | DiracDeterminantBase | |
| qmcplusplus::WaveFunctionComponent::updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false)=0 | WaveFunctionComponent | pure virtual |
| UpdateMode | WaveFunctionComponent | |
| UpdateTimer | DiracDeterminantBase | protected |
| ValueMatrix typedef | WaveFunctionComponent | |
| ValueType typedef | QMCTraits | |
| ValueVector typedef | WaveFunctionComponent | |
| Walker_t typedef | WaveFunctionComponent | |
| WaveFunctionComponent(const std::string &obj_name="") | WaveFunctionComponent | |
| WFBufferType typedef | WaveFunctionComponent | |
| ~DiracDeterminantBase() override | DiracDeterminantBase | inline |
| ~WaveFunctionComponent() | WaveFunctionComponent | virtual |
1.8.14