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QMCPACK
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QMCPACK
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This is the complete list of members for AGPDeterminant, including all inherited members.
| acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false) override | AGPDeterminant | virtual |
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
| AGPDeterminant(BasisSetType *bs=nullptr) | AGPDeterminant | |
| BasisSetType typedef | AGPDeterminant | |
| BasisSize | AGPDeterminant | |
| BufferType typedef | WaveFunctionComponent | |
| Bytes_in_WFBuffer | WaveFunctionComponent | |
| checkOutVariables(const opt_variables_type &active) | WaveFunctionComponent | virtual |
| checkSanity() const | WaveFunctionComponent | inlinevirtual |
| completeUpdates() | WaveFunctionComponent | inlinevirtual |
| ComplexType typedef | QMCTraits | |
| copyFromBuffer(ParticleSet &P, WFBufferType &buf) override | AGPDeterminant | virtual |
| createResource(ResourceCollection &collection) const | WaveFunctionComponent | inlinevirtual |
| cumRatio | AGPDeterminant | |
| curRatio | AGPDeterminant | |
| d2psiD | AGPDeterminant | |
| d2psiDv | AGPDeterminant | |
| d2psiU | AGPDeterminant | |
| d2psiUv | AGPDeterminant | |
| d2Y | AGPDeterminant | |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| dpsiD | AGPDeterminant | |
| dpsiDv | AGPDeterminant | |
| dpsiU | AGPDeterminant | |
| dpsiUv | AGPDeterminant | |
| dY | AGPDeterminant | |
| evalGrad(ParticleSet &P, int iat) | WaveFunctionComponent | inlinevirtual |
| evalGradSource(ParticleSet &P, ParticleSet &source, int iat) | WaveFunctionComponent | inlinevirtual |
| 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) | WaveFunctionComponent | inlinevirtual |
| evaluateDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi) override | AGPDeterminant | inlinevirtual |
| evaluateDerivativesWF(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi) | WaveFunctionComponent | virtual |
| 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) | WaveFunctionComponent | virtual |
| evaluateGradDerivatives(const ParticleSet::ParticleGradient &G_in, std::vector< ValueType > &dgradlogpsi) | WaveFunctionComponent | inlinevirtual |
| evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all) | WaveFunctionComponent | inlinevirtual |
| evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L) override | AGPDeterminant | virtual |
| evaluateLogAndStore(const ParticleSet &P) | AGPDeterminant | |
| evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| evaluateSpinorRatios(const VirtualParticleSet &VP, const std::pair< ValueVector, ValueVector > &spinor_multiplier, std::vector< ValueType > &ratios) | WaveFunctionComponent | virtual |
| extractOptimizableObjectRefs(UniqueOptObjRefs &opt_obj_refs) | WaveFunctionComponent | virtual |
| finalizeOptimization() | WaveFunctionComponent | inlinevirtual |
| FirstAddressOfdVD | AGPDeterminant | |
| FirstAddressOfdVU | AGPDeterminant | |
| FirstAddressOfdY | AGPDeterminant | |
| FirstAddressOfG | AGPDeterminant | |
| FullPrecRealType typedef | QMCTraits | |
| FullPrecValueType typedef | QMCTraits | |
| GeminalBasis | AGPDeterminant | |
| get_log_value() const | WaveFunctionComponent | inline |
| getClassName() const override | AGPDeterminant | inlinevirtual |
| getName() const | WaveFunctionComponent | inline |
| getValue() const | WaveFunctionComponent | inline |
| GradMatrix typedef | AGPDeterminant | |
| GradType typedef | QMCTraits | |
| GradVector typedef | AGPDeterminant | |
| HessType typedef | WaveFunctionComponent | |
| HessVector typedef | WaveFunctionComponent | |
| IndexType typedef | QMCTraits | |
| IndexVector typedef | AGPDeterminant | |
| isFermionic() const | WaveFunctionComponent | inlinevirtual |
| isMultiDet() const | WaveFunctionComponent | inlinevirtual |
| isOptimizable() const | WaveFunctionComponent | inlinevirtual |
| KECorrection() | WaveFunctionComponent | virtual |
| Lambda | AGPDeterminant | |
| LambdaUP | AGPDeterminant | |
| LastAddressOfdVD | AGPDeterminant | |
| LastAddressOfdVU | AGPDeterminant | |
| LastAddressOfdY | AGPDeterminant | |
| LastAddressOfG | AGPDeterminant | |
| log_value_ | WaveFunctionComponent | protected |
| LogValue typedef | WaveFunctionComponent | |
| makeClone(ParticleSet &tqp) const override | AGPDeterminant | 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 | WaveFunctionComponent | virtual |
| 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 | WaveFunctionComponent | virtual |
| mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const int iat, TWFGrads< CT > &grads_now) const | 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 | 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 | WaveFunctionComponent | virtual |
| 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 | 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 |
| myG | AGPDeterminant | |
| myG_temp | AGPDeterminant | |
| myL | AGPDeterminant | |
| myL_temp | AGPDeterminant | |
| myVars | WaveFunctionComponent | |
| Ndown | AGPDeterminant | |
| NumPtcls | AGPDeterminant | |
| Nup | AGPDeterminant | |
| 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 | |
| phiT | AGPDeterminant | |
| phiTv | AGPDeterminant | |
| Pivot | AGPDeterminant | |
| PosType typedef | QMCTraits | |
| prepareGroup(ParticleSet &P, int ig) | WaveFunctionComponent | inlinevirtual |
| PropertySetType typedef | QMCTraits | |
| psiD | AGPDeterminant | |
| psiM | AGPDeterminant | |
| psiM_temp | AGPDeterminant | |
| psiMinv | AGPDeterminant | |
| psiU | AGPDeterminant | |
| PsiValue typedef | WaveFunctionComponent | |
| PtclGrpIndexes typedef | QMCTraits | |
| QTBase typedef | QMCTraits | |
| QTFull typedef | QMCTraits | |
| ratio(ParticleSet &P, int iat) override | AGPDeterminant | virtual |
| ratioDown(ParticleSet &P, int iat) | AGPDeterminant | |
| ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) | WaveFunctionComponent | virtual |
| ratioGradWithSpin(ParticleSet &P, int iat, GradType &grad_iat, ComplexType &spingrad_iat) | WaveFunctionComponent | inlinevirtual |
| ratioUp(ParticleSet &P, int iat) | AGPDeterminant | |
| RealMatrix_t typedef | WaveFunctionComponent | |
| RealType typedef | QMCTraits | |
| recompute(const ParticleSet &P) | WaveFunctionComponent | virtual |
| registerData(ParticleSet &P, WFBufferType &buf) override | AGPDeterminant | virtual |
| registerTWFFastDerivWrapper(const ParticleSet &P, TWFFastDerivWrapper &twf) const | WaveFunctionComponent | virtual |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
| resize(int nup, int ndown) | AGPDeterminant | |
| resizeByWalkers(int nwalkers) | AGPDeterminant | |
| restore(int iat) override | AGPDeterminant | virtual |
| TensorType typedef | QMCTraits | |
| updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false) override | AGPDeterminant | virtual |
| UpdateMode | WaveFunctionComponent | |
| ValueMatrix typedef | AGPDeterminant | |
| ValueType typedef | QMCTraits | |
| ValueVector typedef | AGPDeterminant | |
| Walker_t typedef | WaveFunctionComponent | |
| WaveFunctionComponent(const std::string &obj_name="") | WaveFunctionComponent | |
| WFBufferType typedef | WaveFunctionComponent | |
| WorkingIndex | AGPDeterminant | |
| WorkSpace | AGPDeterminant | |
| workV1 | AGPDeterminant | |
| workV2 | AGPDeterminant | |
| ~AGPDeterminant() override | AGPDeterminant | |
| ~WaveFunctionComponent() | WaveFunctionComponent | virtual |
1.8.14