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QMCPACK
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This is the complete list of members for ConstantOrbital, including all inherited members.
acceptMove(ParticleSet &P, int iat, bool safe_to_delay=false) override | ConstantOrbital | inlinevirtual |
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
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 | |
ConstantOrbital() | ConstantOrbital | inline |
copyFromBuffer(ParticleSet &P, WFBufferType &buf) override | ConstantOrbital | inlinevirtual |
createResource(ResourceCollection &collection) const | WaveFunctionComponent | inlinevirtual |
DIM enum value | QMCTraits | |
DIM_VGL enum value | QMCTraits | |
evalGrad(ParticleSet &P, int iat) override | ConstantOrbital | 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 | ConstantOrbital | 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 | ConstantOrbital | inlinevirtual |
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 |
FakeGradRatio | ConstantOrbital | |
finalizeOptimization() | WaveFunctionComponent | inlinevirtual |
FullPrecRealType typedef | QMCTraits | |
FullPrecValueType typedef | QMCTraits | |
get_log_value() const | WaveFunctionComponent | inline |
getClassName() const override | ConstantOrbital | inlinevirtual |
getName() const | WaveFunctionComponent | inline |
getValue() const | WaveFunctionComponent | inline |
GradMatrix typedef | WaveFunctionComponent | |
GradType typedef | QMCTraits | |
HessType typedef | WaveFunctionComponent | |
HessVector typedef | WaveFunctionComponent | |
IndexType typedef | QMCTraits | |
isFermionic() const | WaveFunctionComponent | inlinevirtual |
isMultiDet() const | WaveFunctionComponent | inlinevirtual |
isOptimizable() const | WaveFunctionComponent | inlinevirtual |
KECorrection() | WaveFunctionComponent | virtual |
log_value_ | WaveFunctionComponent | protected |
LogValue typedef | WaveFunctionComponent | |
makeClone(ParticleSet &tpq) const override | ConstantOrbital | inlinevirtual |
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 |
myVars | WaveFunctionComponent | |
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 | |
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) override | ConstantOrbital | inlinevirtual |
ratioGrad(ParticleSet &P, int iat, GradType &grad_iat) override | ConstantOrbital | inlinevirtual |
ratioGradWithSpin(ParticleSet &P, int iat, GradType &grad_iat, ComplexType &spingrad_iat) | WaveFunctionComponent | inlinevirtual |
RealMatrix_t typedef | WaveFunctionComponent | |
RealType typedef | QMCTraits | |
recompute(const ParticleSet &P) | WaveFunctionComponent | virtual |
registerData(ParticleSet &P, WFBufferType &buf) override | ConstantOrbital | inlinevirtual |
registerTWFFastDerivWrapper(const ParticleSet &P, TWFFastDerivWrapper &twf) const | WaveFunctionComponent | virtual |
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< WaveFunctionComponent > &wfc_list) const | WaveFunctionComponent | inlinevirtual |
restore(int iat) override | ConstantOrbital | inlinevirtual |
TensorType typedef | QMCTraits | |
updateBuffer(ParticleSet &P, WFBufferType &buf, bool fromscratch=false) override | ConstantOrbital | inlinevirtual |
UpdateMode | WaveFunctionComponent | |
ValueMatrix typedef | WaveFunctionComponent | |
ValueType typedef | QMCTraits | |
ValueVector typedef | WaveFunctionComponent | |
Walker_t typedef | WaveFunctionComponent | |
WaveFunctionComponent(const std::string &obj_name="") | WaveFunctionComponent | |
WFBufferType typedef | WaveFunctionComponent | |
~WaveFunctionComponent() | WaveFunctionComponent | virtual |