DiracDeterminant< DU_TYPE > Member List

This is the complete list of members for DiracDeterminant< DU_TYPE >, including all inherited members.

acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false)=0	DiracDeterminantBase
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wf_list) const override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const	DiracDeterminantBase	inline
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() override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::completeUpdates()	DiracDeterminantBase	inline
ComplexType typedef	QMCTraits
copyFromBuffer(ParticleSet &P, WFBufferType &buf) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::copyFromBuffer(ParticleSet &P, WFBufferType &buf)=0	DiracDeterminantBase
createResource(ResourceCollection &collection) const override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::createResource(ResourceCollection &collection) const	DiracDeterminantBase	inline
curRatio	DiracDeterminant< DU_TYPE >
d2psiM	DiracDeterminant< DU_TYPE >
d2psiV	DiracDeterminant< DU_TYPE >
DIM enum value	QMCTraits
DIM_VGL enum value	QMCTraits
DiracDeterminant(std::unique_ptr< SPOSet > &&spos, int first, int last, int ndelay=1, DetMatInvertor matrix_inverter_kind=DetMatInvertor::ACCEL)	DiracDeterminant< DU_TYPE >
DiracDeterminant(const DiracDeterminant &s)=delete	DiracDeterminant< DU_TYPE >
DiracDeterminantBase(const std::string &class_name, std::unique_ptr< SPOSet > &&spos, int first, int last)	DiracDeterminantBase	inline
DiracDeterminantBase(const DiracDeterminantBase &s)=delete	DiracDeterminantBase
dpsiM	DiracDeterminant< DU_TYPE >
dpsiV	DiracDeterminant< DU_TYPE >
dspin_psiV	DiracDeterminant< DU_TYPE >
dummy_vmt	DiracDeterminantBase	protected
evalGrad(ParticleSet &P, int iat) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evalGrad(ParticleSet &P, int iat)	DiracDeterminantBase	inline
evalGradSource(ParticleSet &P, ParticleSet &source, int iat) override	DiracDeterminant< DU_TYPE >	virtual
evalGradSource(ParticleSet &P, ParticleSet &source, int iat, TinyVector< ParticleSet::ParticleGradient, OHMMS_DIM > &grad_grad, TinyVector< ParticleSet::ParticleLaplacian, OHMMS_DIM > &lapl_grad) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evalGradSource(ParticleSet &P, ParticleSet &source, int iat)	DiracDeterminantBase	inline
evalGradWithSpin(ParticleSet &P, int iat, ComplexType &spingrad) final	DiracDeterminant< DU_TYPE >	virtual
evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateDerivatives(ParticleSet &P, const opt_variables_type &active, int offset, Matrix< RealType > &dlogpsi, Array< GradType, 3 > &dG, Matrix< RealType > &dL)	DiracDeterminantBase	inlinevirtual
qmcplusplus::DiracDeterminantBase::evaluateDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)=0	DiracDeterminantBase
evaluateDerivativesWF(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi) override	DiracDeterminant< DU_TYPE >	virtual
evaluateDerivRatios(const VirtualParticleSet &VP, const opt_variables_type &optvars, std::vector< ValueType > &ratios, Matrix< ValueType > &dratios) override	DiracDeterminant< DU_TYPE >	virtual
evaluateGL(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L, bool fromscratch) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateGL(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L, bool fromscratch)	DiracDeterminantBase
evaluateGradDerivatives(const ParticleSet::ParticleGradient &G_in, std::vector< ValueType > &dgradlogpsi)	WaveFunctionComponent	inlinevirtual
evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateHessian(ParticleSet &P, HessVector &grad_grad_psi_all)	DiracDeterminantBase	inline
evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateLog(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L)=0	DiracDeterminantBase
evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateRatios(const VirtualParticleSet &VP, std::vector< ValueType > &ratios)	DiracDeterminantBase
evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateRatiosAlltoOne(ParticleSet &P, std::vector< ValueType > &ratios)	DiracDeterminantBase
evaluateSpinorRatios(const VirtualParticleSet &VP, const std::pair< ValueVector, ValueVector > &spinor_multipler, std::vector< ValueType > &ratios) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::evaluateSpinorRatios(const VirtualParticleSet &VP, const std::pair< ValueVector, ValueVector > &spinor_multiplier, std::vector< ValueType > &ratios)	DiracDeterminantBase
extractOptimizableObjectRefs(UniqueOptObjRefs &opt_obj_refs) final	DiracDeterminantBase	inlinevirtual
finalizeOptimization()	WaveFunctionComponent	inlinevirtual
FirstAddressOfdV	DiracDeterminant< DU_TYPE >
FirstIndex	DiracDeterminantBase	protected
FullPrecRealType typedef	QMCTraits
FullPrecValueType typedef	QMCTraits
get_log_value() const	WaveFunctionComponent	inline
getClassName() const override	DiracDeterminant< DU_TYPE >	inlinevirtual
getFirstIndex() const	DiracDeterminantBase	inline
getLastIndex() const	DiracDeterminantBase	inline
getName() const	WaveFunctionComponent	inline
getPhi() const	DiracDeterminantBase	inline
getPsiMinv() override	DiracDeterminant< DU_TYPE >	inlinevirtual
getValue() const	WaveFunctionComponent	inline
grad_grad_source_psiM	DiracDeterminant< DU_TYPE >
grad_lapl_source_psiM	DiracDeterminant< DU_TYPE >
grad_phi_alpha_Minv	DiracDeterminant< DU_TYPE >
grad_phi_Minv	DiracDeterminant< DU_TYPE >
grad_source_psiM	DiracDeterminant< DU_TYPE >
GradMatrix typedef	DiracDeterminant< DU_TYPE >
GradType typedef	QMCTraits
GradVector typedef	DiracDeterminant< DU_TYPE >
HessMatrix typedef	DiracDeterminant< DU_TYPE >
HessType typedef	WaveFunctionComponent
HessVector typedef	DiracDeterminant< DU_TYPE >
host_inverter_	DiracDeterminant< DU_TYPE >	private
IndexType typedef	QMCTraits
InverseTimer	DiracDeterminantBase	protected
invertPsiM(const ValueMatrix &logdetT, ValueMatrix &invMat)	DiracDeterminant< DU_TYPE >	private
invRow	DiracDeterminant< DU_TYPE >
invRow_id	DiracDeterminant< DU_TYPE >
isFermionic() const final	DiracDeterminantBase	inlinevirtual
isMultiDet() const	WaveFunctionComponent	inlinevirtual
isOptimizable() const final	DiracDeterminantBase	inlinevirtual
KECorrection()	WaveFunctionComponent	virtual
lapl_phi_Minv	DiracDeterminant< DU_TYPE >
LastAddressOfdV	DiracDeterminant< DU_TYPE >
LastIndex	DiracDeterminantBase	protected
log_value_	WaveFunctionComponent	protected
LogValue typedef	WaveFunctionComponent
makeClone(ParticleSet &tqp) const final	DiracDeterminantBase	inlinevirtual
makeCopy(std::unique_ptr< SPOSet > &&spo) const override	DiracDeterminant< DU_TYPE >	virtual
matrix_inverter_kind_	DiracDeterminant< DU_TYPE >	private
mGradType typedef	DiracDeterminant< DU_TYPE >
mValueType typedef	DiracDeterminant< DU_TYPE >
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 override	DiracDeterminant< DU_TYPE >	inlinevirtual
qmcplusplus::DiracDeterminantBase::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
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 override	DiracDeterminant< DU_TYPE >	inlinevirtual
qmcplusplus::DiracDeterminantBase::mw_completeUpdates(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const	DiracDeterminantBase
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 override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::mw_evaluateRatios(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, std::vector< std::vector< ValueType >> &ratios) const	DiracDeterminantBase
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, std::vector< GradType > &grad_new) const override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::mw_ratioGrad(const RefVectorWithLeader< WaveFunctionComponent > &wfc_list, const RefVectorWithLeader< ParticleSet > &p_list, int iat, std::vector< PsiValue > &ratios, TWFGrads< CT > &grad_new) const	DiracDeterminantBase
qmcplusplus::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
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
ndelay_	DiracDeterminant< DU_TYPE >	protected
NumOrbitals	DiracDeterminantBase	protected
NumPtcls	DiracDeterminantBase	protected
operator=(const DiracDeterminant &s)=delete	DiracDeterminant< DU_TYPE >
qmcplusplus::DiracDeterminantBase::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
phi_alpha_Minv	DiracDeterminant< DU_TYPE >
PosType typedef	QMCTraits
prepareGroup(ParticleSet &P, int ig)	WaveFunctionComponent	inlinevirtual
PropertySetType typedef	QMCTraits
psiM	DiracDeterminant< DU_TYPE >
psiM_temp	DiracDeterminant< DU_TYPE >
psiMinv	DiracDeterminant< DU_TYPE >
psiV	DiracDeterminant< DU_TYPE >
PsiValue typedef	WaveFunctionComponent
PtclGrpIndexes typedef	QMCTraits
QTBase typedef	QMCTraits
QTFull typedef	QMCTraits
ratio(ParticleSet &P, int iat) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::ratio(ParticleSet &P, int iat)=0	DiracDeterminantBase
ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::ratioGrad(ParticleSet &P, int iat, GradType &grad_iat)	DiracDeterminantBase
ratioGrad_compute(int iat, GradType &grad_iat)	DiracDeterminant< DU_TYPE >	private
ratioGradWithSpin(ParticleSet &P, int iat, GradType &grad_iat, ComplexType &spingrad) final	DiracDeterminant< DU_TYPE >	virtual
RatioTimer	DiracDeterminantBase	protected
RealMatrix_t typedef	WaveFunctionComponent
RealType typedef	QMCTraits
recompute(const ParticleSet &P) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::recompute(const ParticleSet &P)	DiracDeterminantBase
registerData(ParticleSet &P, WFBufferType &buf) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::registerData(ParticleSet &P, WFBufferType &buf)=0	DiracDeterminantBase
registerTWFFastDerivWrapper(const ParticleSet &P, TWFFastDerivWrapper &twf) const final	DiracDeterminant< DU_TYPE >	virtual
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wf_list) const override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const	DiracDeterminantBase	inline
resize(int nel, int morb)	DiracDeterminant< DU_TYPE >	protected
resizeScratchObjectsForIonDerivs()	DiracDeterminant< DU_TYPE >	private
restore(int iat) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::restore(int iat)=0	DiracDeterminantBase
SPOVGLTimer	DiracDeterminantBase	protected
SPOVTimer	DiracDeterminantBase	protected
TensorType typedef	QMCTraits
updateAfterSweep(const ParticleSet &P, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L)	DiracDeterminant< DU_TYPE >
updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false) override	DiracDeterminant< DU_TYPE >	virtual
qmcplusplus::DiracDeterminantBase::updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false)=0	DiracDeterminantBase
updateEng	DiracDeterminant< DU_TYPE >
UpdateMode	WaveFunctionComponent
UpdateTimer	DiracDeterminantBase	protected
ValueMatrix typedef	DiracDeterminant< DU_TYPE >
ValueType typedef	QMCTraits
ValueVector typedef	DiracDeterminant< DU_TYPE >
Walker_t typedef	WaveFunctionComponent
WaveFunctionComponent(const std::string &obj_name="")	WaveFunctionComponent
WFBufferType typedef	WaveFunctionComponent
~DiracDeterminantBase() override	DiracDeterminantBase	inline
~WaveFunctionComponent()	WaveFunctionComponent	virtual