QMCPACK
SkEstimator Member List

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

acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) constOperatorBasevirtual
add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH)OperatorBasevirtual
addObservables(PropertySetType &plist)SkEstimator
addObservables(PropertySetType &plist, BufferType &collectables) overrideSkEstimatorvirtual
addValue(PropertySetType &plist)OperatorBaseprotected
BufferType typedefOperatorBase
checkoutParticleQuantities(TraceManager &tm)OperatorBaseprotectedvirtual
checkoutScalarQuantities(TraceManager &tm)OperatorBaseprotectedvirtual
checkoutTraceQuantities(TraceManager &tm)OperatorBase
CLASSICAL enum valueOperatorBase
CLASSICAL_CLASSICAL enum valueOperatorBase
COLLECTABLE enum valueOperatorBase
collectScalarQuantities()OperatorBaseprotectedvirtual
collectScalarTraces()OperatorBase
ComplexType typedefQMCTraits
contributeParticleQuantities()OperatorBaseprotectedvirtual
contributeScalarQuantities()OperatorBaseprotectedvirtual
contributeTraceQuantities()OperatorBase
createResource(ResourceCollection &collection) constOperatorBasevirtual
deleteParticleQuantities()OperatorBaseprotectedvirtual
deleteScalarQuantities()OperatorBaseprotectedvirtual
deleteTraceQuantities()OperatorBase
dependsOnWaveFunction() constOperatorBaseinlinevirtual
DIM enum valueQMCTraits
DIM_VGL enum valueQMCTraits
EnergyDomains enum nameOperatorBase
evaluate(ParticleSet &P) overrideSkEstimatorvirtual
evaluateDeterministic(ParticleSet &P)OperatorBasevirtual
evaluateOneBodyOpMatrix(ParticleSet &P, const TWFFastDerivWrapper &psi, std::vector< ValueMatrix > &B)OperatorBaseinlinevirtual
evaluateOneBodyOpMatrixForceDeriv(ParticleSet &P, ParticleSet &source, const TWFFastDerivWrapper &psi, const int iat, std::vector< std::vector< ValueMatrix >> &Bforce)OperatorBaseinlinevirtual
evaluateValueAndDerivatives(ParticleSet &P, const opt_variables_type &optvars, const Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)OperatorBasevirtual
evaluateWithIonDerivs(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_term, ParticleSet::ParticlePos &pulay_term)OperatorBasevirtual
evaluateWithIonDerivsDeterministic(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_term, ParticleSet::ParticlePos &pulay_term)OperatorBasevirtual
evaluateWithToperator(ParticleSet &P)OperatorBasevirtual
FullPrecRealType typedefQMCTraits
FullPrecValueType typedefQMCTraits
get(std::ostream &os) const overrideSkEstimatorvirtual
getClassName() const overrideSkEstimatorinlinevirtual
getEnsembleAverage()OperatorBasevirtual
getMode(const int i) const noexceptOperatorBase
getName() const noexceptOperatorBase
getRequest() noexceptOperatorBase
getRequiredTraces(TraceManager &tm)OperatorBasevirtual
getUpdateMode() noexceptOperatorBase
getValue() const noexceptOperatorBase
GradMatrix typedefOperatorBase
GradType typedefQMCTraits
hasListener() const noexceptOperatorBase
have_required_traces_OperatorBaseprotected
hdf5_outSkEstimatorprotected
IndexType typedefQMCTraits
informOfPerParticleListener()OperatorBaseinlinevirtual
isClassical() const noexceptOperatorBase
isClassicalClassical() const noexceptOperatorBase
isNonLocal() const noexceptOperatorBase
isQuantum() const noexceptOperatorBase
isQuantumClassical() const noexceptOperatorBase
isQuantumQuantum() const noexceptOperatorBase
KINETIC enum valueOperatorBase
KmagSkEstimatorprotected
KshellSkEstimatorprotected
makeClone(ParticleSet &qp, TrialWaveFunction &psi) overrideSkEstimatorvirtual
MaxKshellSkEstimatorprotected
mw_evaluate(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) constOperatorBasevirtual
mw_evaluatePerParticle(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::vector< ListenerVector< RealType >> &listeners, const std::vector< ListenerVector< RealType >> &listeners_ions) constOperatorBasevirtual
mw_evaluatePerParticleWithToperator(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::vector< ListenerVector< RealType >> &listeners, const std::vector< ListenerVector< RealType >> &listeners_ions) constOperatorBasevirtual
mw_evaluateWithParameterDerivatives(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< ParticleSet > &p_list, const opt_variables_type &optvars, const RecordArray< ValueType > &dlogpsi, RecordArray< ValueType > &dhpsioverpsi) constOperatorBasevirtual
mw_evaluateWithToperator(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) constOperatorBasevirtual
my_index_OperatorBaseprotected
name_OperatorBaseprotected
new_value_OperatorBaseprotected
NO_ENERGY_DOMAIN enum valueOperatorBase
NO_QUANTUM_DOMAIN enum valueOperatorBase
NONLOCAL enum valueOperatorBase
NumKSkEstimatorprotected
NumSpeciesSkEstimatorprotected
oneBodyQuantumDomain(const ParticleSet &P)OperatorBaseprotected
OneOverDnkSkEstimatorprotected
OneOverNSkEstimatorprotected
OperatorBase()OperatorBase
OPTIMIZABLE enum valueOperatorBase
ParticleScalar typedefOperatorBase
PHYSICAL enum valueOperatorBase
PosType typedefQMCTraits
POTENTIAL enum valueOperatorBase
PRIMARY enum valueOperatorBase
PropertySetType typedefQMCTraits
PtclGrpIndexes typedefQMCTraits
put(xmlNodePtr cur) overrideSkEstimatorvirtual
QTBase typedefQMCTraits
QTFull typedefQMCTraits
QUANTUM enum valueOperatorBase
QUANTUM_CLASSICAL enum valueOperatorBase
QUANTUM_QUANTUM enum valueOperatorBase
QuantumDomains enum nameOperatorBase
RATIOUPDATE enum valueOperatorBase
RealType typedefQMCTraits
registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const overrideSkEstimatorvirtual
registerObservables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) constOperatorBasevirtual
rejectedMove(ParticleSet &P)OperatorBasevirtual
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) constOperatorBasevirtual
request_OperatorBaseprotected
resetTargetParticleSet(ParticleSet &P) overrideSkEstimatorvirtual
resize()SkEstimatorprotected
Return_t typedefOperatorBase
RhokTot_iSkEstimatorprotected
RhokTot_rSkEstimatorprotected
setComputeForces(bool compute)OperatorBaseprotectedvirtual
setEnergyDomain(EnergyDomains edomain)OperatorBaseprotected
setHistories(Walker_t &ThisWalker)OperatorBasevirtual
setName(const std::string name) noexceptOperatorBase
setObservables(PropertySetType &plist) overrideSkEstimatorvirtual
setParticlePropertyList(PropertySetType &plist, int offset) overrideSkEstimatorvirtual
setQuantumDomain(QuantumDomains qdomain)OperatorBaseprotected
setRandomGenerator(RandomBase< FullPrecRealType > *rng)OperatorBasevirtual
SkEstimator(ParticleSet &elns)SkEstimator
sourcePtclSkEstimatorprotected
SPOMap typedefOperatorBase
streaming_particles_OperatorBaseprotected
t_walker_OperatorBaseprotected
TensorType typedefQMCTraits
twoBodyQuantumDomain(const ParticleSet &P)OperatorBaseprotected
twoBodyQuantumDomain(const ParticleSet &P1, const ParticleSet &P2)OperatorBaseprotected
update_mode_OperatorBaseprotected
updateSource(ParticleSet &s)OperatorBasevirtual
value_OperatorBaseprotected
ValueMatrix typedefOperatorBase
valuesSkEstimatorprotected
ValueType typedefQMCTraits
Walker_t typedefOperatorBase
~OperatorBase()=defaultOperatorBasevirtual