QMCPACK
DiracDeterminantWithBackflow Member List

This is the complete list of members for DiracDeterminantWithBackflow, including all inherited members.

acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false)=0DiracDeterminantBase
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) constDiracDeterminantBaseinline
qmcplusplus::WaveFunctionComponent::acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) constWaveFunctionComponentinlinevirtual
Ajk_sumDiracDeterminantWithBackflowprivate
BFTrans_DiracDeterminantWithBackflow
BufferTimerDiracDeterminantBaseprotected
BufferType typedefWaveFunctionComponent
Bytes_in_WFBufferWaveFunctionComponent
checkG(const GradType &g)DiracDeterminantBaseinlineprotectedstatic
checkOutVariables(const opt_variables_type &active) finalDiracDeterminantBaseinlinevirtual
checkSanity() constWaveFunctionComponentinlinevirtual
completeUpdates()DiracDeterminantBaseinline
qmcplusplus::WaveFunctionComponent::completeUpdates()WaveFunctionComponentinlinevirtual
ComplexType typedefQMCTraits
copyFromBuffer(ParticleSet &P, WFBufferType &buf) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::copyFromBuffer(ParticleSet &P, WFBufferType &buf)=0DiracDeterminantBase
createResource(ResourceCollection &collection) constDiracDeterminantBaseinline
qmcplusplus::WaveFunctionComponent::createResource(ResourceCollection &collection) constWaveFunctionComponentinlinevirtual
curRatioDiracDeterminantWithBackflowprivate
d2psiVDiracDeterminantWithBackflowprivate
dFaDiracDeterminantWithBackflowprivate
DIM enum valueQMCTraits
DIM_VGL enum valueQMCTraits
DiracDeterminantBase(const std::string &class_name, std::unique_ptr< SPOSet > &&spos, int first, int last)DiracDeterminantBaseinline
DiracDeterminantBase(const DiracDeterminantBase &s)=deleteDiracDeterminantBase
DiracDeterminantWithBackflow(std::unique_ptr< SPOSet > &&spos, BackflowTransformation &BF, int first, int last)DiracDeterminantWithBackflow
DiracDeterminantWithBackflow(const DiracDeterminantWithBackflow &s)=deleteDiracDeterminantWithBackflow
dpsiMDiracDeterminantWithBackflowprivate
dpsiM_tempDiracDeterminantWithBackflowprivate
dpsiVDiracDeterminantWithBackflowprivate
dummy_vmtDiracDeterminantBaseprotected
dummyEvalLi(ValueType &L1, ValueType &L2, ValueType &L3)DiracDeterminantWithBackflowprivate
evalGrad(ParticleSet &P, int iat) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::evalGrad(ParticleSet &P, int iat)DiracDeterminantBaseinline
evalGradSource(ParticleSet &P, ParticleSet &source, int iat) overrideDiracDeterminantWithBackflowvirtual
evalGradSource(ParticleSet &P, ParticleSet &source, int iat, TinyVector< ParticleSet::ParticleGradient, OHMMS_DIM > &grad_grad, TinyVector< ParticleSet::ParticleLaplacian, OHMMS_DIM > &lapl_grad) overrideDiracDeterminantWithBackflow
qmcplusplus::DiracDeterminantBase::evalGradSource(ParticleSet &P, ParticleSet &source, int iat)DiracDeterminantBaseinline
qmcplusplus::WaveFunctionComponent::evalGradSource(ParticleSet &P, ParticleSet &source, int iat, TinyVector< ParticleSet::ParticleGradient, OHMMS_DIM > &grad_grad, TinyVector< ParticleSet::ParticleLaplacian, OHMMS_DIM > &lapl_grad)WaveFunctionComponentinlinevirtual
evalGradWithSpin(ParticleSet &P, int iat, ComplexType &spingrad) overrideDiracDeterminantBaseinlinevirtual
evaluate_SPO(ValueMatrix &logdet, GradMatrix &dlogdet, HessMatrix &grad_grad_logdet)DiracDeterminantWithBackflowprivate
evaluate_SPO(ValueMatrix &logdet, GradMatrix &dlogdet, HessMatrix &grad_grad_logdet, GGGMatrix &grad_grad_grad_logdet)DiracDeterminantWithBackflowprivate
evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi) overrideDiracDeterminantWithBackflowvirtual
evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, std::vector< RealType > &dlogpsi, std::vector< RealType > &dhpsioverpsi, ParticleSet::ParticleGradient *G0, ParticleSet::ParticleLaplacian *L0, int k)DiracDeterminantWithBackflow
evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, int offset, Matrix< RealType > &dlogpsi, Array< GradType, OHMMS_DIM > &dG, Matrix< RealType > &dL) overrideDiracDeterminantWithBackflow
qmcplusplus::DiracDeterminantBase::evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, int offset, Matrix< RealType > &dlogpsi, Array< GradType, 3 > &dG, Matrix< RealType > &dL)DiracDeterminantBaseinlinevirtual
qmcplusplus::DiracDeterminantBase::evaluateDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)=0DiracDeterminantBase
evaluateDerivativesWF(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi) overrideDiracDeterminantBaseinlinevirtual
evaluateDerivRatios(const VirtualParticleSet &VP, const opt_variables_type &optvars, std::vector< ValueType > &ratios, Matrix< ValueType > &dratios)WaveFunctionComponentvirtual
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)WaveFunctionComponentvirtual
evaluateGradDerivatives(const ParticleSet::ParticleGradient &G_in, std::vector< ValueType > &dgradlogpsi)WaveFunctionComponentinlinevirtual
evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all)DiracDeterminantBaseinline
qmcplusplus::WaveFunctionComponent::evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all)WaveFunctionComponentinlinevirtual
evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L) overrideDiracDeterminantWithBackflow
qmcplusplus::DiracDeterminantBase::evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L)=0DiracDeterminantBase
qmcplusplus::WaveFunctionComponent::evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L)=0WaveFunctionComponentpure virtual
evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios)DiracDeterminantBase
qmcplusplus::WaveFunctionComponent::evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios)WaveFunctionComponentvirtual
evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios)DiracDeterminantBase
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)WaveFunctionComponentvirtual
extractOptimizableObjectRefs(UniqueOptObjRefs &opt_obj_refs) finalDiracDeterminantBaseinlinevirtual
finalizeOptimization()WaveFunctionComponentinlinevirtual
FirstAddressOfdVDiracDeterminantWithBackflowprivate
FirstAddressOfFmDiracDeterminantWithBackflowprivate
FirstAddressOfGDiracDeterminantWithBackflowprivate
FirstAddressOfGGGDiracDeterminantWithBackflowprivate
FirstIndexDiracDeterminantBaseprotected
FmatDiracDeterminantWithBackflowprivate
FmatdiagDiracDeterminantWithBackflowprivate
Fmatdiag_tempDiracDeterminantWithBackflowprivate
FullPrecRealType typedefQMCTraits
FullPrecValueType typedefQMCTraits
get_log_value() constWaveFunctionComponentinline
getClassName() const overrideDiracDeterminantWithBackflowinlinevirtual
getFirstIndex() constDiracDeterminantBaseinline
getLastIndex() constDiracDeterminantBaseinline
getName() constWaveFunctionComponentinline
getPhi() constDiracDeterminantBaseinline
getPsiMinv()DiracDeterminantBaseinlinevirtual
getValue() constWaveFunctionComponentinline
GGGMatrix typedefDiracDeterminantWithBackflow
grad_grad_grad_psiMDiracDeterminantWithBackflowprivate
grad_grad_psiMDiracDeterminantWithBackflowprivate
grad_grad_psiM_tempDiracDeterminantWithBackflowprivate
grad_gradVDiracDeterminantWithBackflowprivate
GradMatrix typedefDiracDeterminantWithBackflow
GradType typedefQMCTraits
GradVector typedefDiracDeterminantWithBackflow
GtempDiracDeterminantWithBackflowprivate
HessMatrix typedefDiracDeterminantWithBackflow
HessType typedefWaveFunctionComponent
HessVector typedefDiracDeterminantWithBackflow
IndexType typedefQMCTraits
InverseTimerDiracDeterminantBaseprotected
isFermionic() const finalDiracDeterminantBaseinlinevirtual
isMultiDet() constWaveFunctionComponentinlinevirtual
isOptimizable() const finalDiracDeterminantBaseinlinevirtual
KECorrection()WaveFunctionComponentvirtual
La1DiracDeterminantWithBackflowprivate
La2DiracDeterminantWithBackflowprivate
La3DiracDeterminantWithBackflowprivate
LastAddressOfdVDiracDeterminantWithBackflowprivate
LastAddressOfFmDiracDeterminantWithBackflowprivate
LastAddressOfGDiracDeterminantWithBackflowprivate
LastAddressOfGGGDiracDeterminantWithBackflowprivate
LastIndexDiracDeterminantBaseprotected
log_value_WaveFunctionComponentprotected
LogValue typedefWaveFunctionComponent
makeClone(ParticleSet &tqp) const finalDiracDeterminantBaseinlinevirtual
makeCopy(std::unique_ptr< SPOSet > &&spo) const overrideDiracDeterminantWithBackflowinlinevirtual
makeCopyWithBF(std::unique_ptr< SPOSet > &&spo, BackflowTransformation &BF) constDiracDeterminantWithBackflow
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) constDiracDeterminantBase
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) constWaveFunctionComponentvirtual
mw_calcRatio(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios) constDiracDeterminantBase
qmcplusplus::WaveFunctionComponent::mw_calcRatio(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios) constWaveFunctionComponentvirtual
mw_completeUpdates(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) constDiracDeterminantBase
qmcplusplus::WaveFunctionComponent::mw_completeUpdates(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) constWaveFunctionComponentvirtual
mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const int iat, TWFGrads< CT > &grads_now) constDiracDeterminantBase
mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now) constDiracDeterminantBase
qmcplusplus::WaveFunctionComponent::mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const int iat, TWFGrads< CT > &grads_now) constWaveFunctionComponent
qmcplusplus::WaveFunctionComponent::mw_evalGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now) constWaveFunctionComponentvirtual
mw_evalGradWithSpin(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< GradType > &grad_now, std::vector< ComplexType > &spingrad_now) constWaveFunctionComponentvirtual
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) constDiracDeterminantBase
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) constWaveFunctionComponentvirtual
mw_evaluateLog(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< ParticleSet::ParticleGradient > &G_list, const RefVector< ParticleSet::ParticleLaplacian > &L_list) constDiracDeterminantBase
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) constWaveFunctionComponentvirtual
mw_evaluateRatios(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, std::vector< std::vector< ValueType >> &ratios) constDiracDeterminantBase
qmcplusplus::WaveFunctionComponent::mw_evaluateRatios(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, std::vector< std::vector< ValueType >> &ratios) constWaveFunctionComponentvirtual
mw_prepareGroup(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int ig) constWaveFunctionComponentvirtual
mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, TWFGrads< CT > &grad_new) constDiracDeterminantBase
mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, std::vector< GradType > &grad_new) constDiracDeterminantBase
qmcplusplus::WaveFunctionComponent::mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, TWFGrads< CT > &grad_new) constWaveFunctionComponent
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) constWaveFunctionComponentvirtual
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) constWaveFunctionComponentvirtual
mw_recompute(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::vector< bool > &recompute) constWaveFunctionComponentvirtual
my_name_WaveFunctionComponentprotected
myGDiracDeterminantWithBackflowprivate
myG_tempDiracDeterminantWithBackflowprivate
myLDiracDeterminantWithBackflowprivate
myL_tempDiracDeterminantWithBackflowprivate
myVarsWaveFunctionComponent
NPDiracDeterminantWithBackflowprivate
NumOrbitalsDiracDeterminantBaseprotected
NumParticlesDiracDeterminantWithBackflowprivate
NumPtclsDiracDeterminantBaseprotected
operator=(const DiracDeterminantWithBackflow &s)=deleteDiracDeterminantWithBackflow
qmcplusplus::DiracDeterminantBase::operator=(const DiracDeterminantBase &s)=deleteDiracDeterminantBase
ORB_ALLWALKER enum valueWaveFunctionComponent
ORB_PBYP_ALL enum valueWaveFunctionComponent
ORB_PBYP_PARTIAL enum valueWaveFunctionComponent
ORB_PBYP_RATIO enum valueWaveFunctionComponent
ORB_WALKER enum valueWaveFunctionComponent
PhiDiracDeterminantBaseprotected
PivotDiracDeterminantWithBackflowprivate
PosType typedefQMCTraits
prepareGroup(ParticleSet &P, int ig)WaveFunctionComponentinlinevirtual
PropertySetType typedefQMCTraits
psiMDiracDeterminantWithBackflowprivate
psiM_tempDiracDeterminantWithBackflowprivate
psiMinvDiracDeterminantWithBackflowprivate
psiMinv_tempDiracDeterminantWithBackflowprivate
psiVDiracDeterminantWithBackflowprivate
PsiValue typedefWaveFunctionComponent
PtclGrpIndexes typedefQMCTraits
QmatDiracDeterminantWithBackflowprivate
QTBase typedefQMCTraits
QTFull typedefQMCTraits
ratio(ParticleSet &P, int iat) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::ratio(ParticleSet &P, int iat)=0DiracDeterminantBase
ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::ratioGrad(ParticleSet &P, int iat, GradType &grad_iat)DiracDeterminantBase
ratioGradWithSpin(ParticleSet &P, int iat, GradType &grad_iat, ComplexType &spingrad) overrideDiracDeterminantBaseinlinevirtual
RatioTimerDiracDeterminantBaseprotected
rcdot(TinyVector< RealType, OHMMS_DIM > &lhs, TinyVector< ValueType, OHMMS_DIM > &rhs)DiracDeterminantWithBackflowinlineprivate
RealMatrix_t typedefWaveFunctionComponent
RealType typedefQMCTraits
recompute(const ParticleSet &P)DiracDeterminantBase
qmcplusplus::WaveFunctionComponent::recompute(const ParticleSet &P)WaveFunctionComponentvirtual
registerData(ParticleSet &P, WFBufferType &buf) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::registerData(ParticleSet &P, WFBufferType &buf)=0DiracDeterminantBase
registerTWFFastDerivWrapper(const ParticleSet &P, TWFFastDerivWrapper &twf) const overrideDiracDeterminantBaseinlinevirtual
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) constDiracDeterminantBaseinline
qmcplusplus::WaveFunctionComponent::releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) constWaveFunctionComponentinlinevirtual
resize(int nel, int morb)DiracDeterminantWithBackflowprivate
restore(int iat) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::restore(int iat)=0DiracDeterminantBase
SPOVGLTimerDiracDeterminantBaseprotected
SPOVTimerDiracDeterminantBaseprotected
TensorType typedefQMCTraits
testDerivFjj(ParticleSet &P, int pa)DiracDeterminantWithBackflow
testDerivLi(ParticleSet &P, int pa)DiracDeterminantWithBackflow
testGG(ParticleSet &P)DiracDeterminantWithBackflow
testGGG(ParticleSet &P)DiracDeterminantWithBackflow
testL(ParticleSet &P)DiracDeterminantWithBackflow
updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false) overrideDiracDeterminantWithBackflowvirtual
qmcplusplus::DiracDeterminantBase::updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false)=0DiracDeterminantBase
UpdateModeWaveFunctionComponent
UpdateTimerDiracDeterminantBaseprotected
ValueMatrix typedefDiracDeterminantWithBackflow
ValueType typedefQMCTraits
ValueVector typedefDiracDeterminantWithBackflow
Walker_t typedefWaveFunctionComponent
WaveFunctionComponent(const std::string &obj_name="")WaveFunctionComponent
WFBufferType typedefWaveFunctionComponent
WorkSpaceDiracDeterminantWithBackflowprivate
~DiracDeterminantBase() overrideDiracDeterminantBaseinline
~DiracDeterminantWithBackflow() overrideDiracDeterminantWithBackflow
~WaveFunctionComponent()WaveFunctionComponentvirtual