StressPBC Member List

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

AA	StressPBC
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const	OperatorBase	virtual
add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH)	OperatorBase	virtual
add_ion_ion_	ForceBase	protected
addObservables(PropertySetType &plist, BufferType &collectables) override	StressPBC	inlinevirtual
addObservablesF(QMCTraits::PropertySetType &plist)	ForceBase
addObservablesStress(QMCTraits::PropertySetType &plist)	ForceBase
addValue(PropertySetType &plist)	OperatorBase	protected
BufferType typedef	OperatorBase
CalculateIonIonStress()	StressPBC	inline
checkoutParticleQuantities(TraceManager &tm)	OperatorBase	protectedvirtual
checkoutScalarQuantities(TraceManager &tm)	OperatorBase	protectedvirtual
checkoutTraceQuantities(TraceManager &tm)	OperatorBase
ck_	ForceBase	protected
CLASSICAL enum value	OperatorBase
CLASSICAL_CLASSICAL enum value	OperatorBase
COLLECTABLE enum value	OperatorBase
collectScalarQuantities()	OperatorBase	protectedvirtual
collectScalarTraces()	OperatorBase
ComplexType typedef	QMCTraits
contributeParticleQuantities()	OperatorBase	protectedvirtual
contributeScalarQuantities()	OperatorBase	protectedvirtual
contributeTraceQuantities()	OperatorBase
createResource(ResourceCollection &collection) const	OperatorBase	virtual
deleteParticleQuantities()	OperatorBase	protectedvirtual
deleteScalarQuantities()	OperatorBase	protectedvirtual
deleteTraceQuantities()	OperatorBase
dependsOnWaveFunction() const	OperatorBase	inlinevirtual
DIM enum value	QMCTraits
DIM_VGL enum value	QMCTraits
ee_table_index	StressPBC
ei_table_index	StressPBC
EnergyDomains enum name	OperatorBase
evalConsts_AA(ParticleSet &P)	StressPBC
evalConsts_AB()	StressPBC
evaluate(ParticleSet &P) override	StressPBC	virtual
evaluateDeterministic(ParticleSet &P)	OperatorBase	virtual
evaluateKineticSymTensor(ParticleSet &P)	StressPBC
evaluateLR_AA(ParticleSet &P)	StressPBC
evaluateLR_AB(ParticleSet &P)	StressPBC
evaluateOneBodyOpMatrix(ParticleSet &P, const TWFFastDerivWrapper &psi, std::vector< ValueMatrix > &B)	OperatorBase	inlinevirtual
evaluateOneBodyOpMatrixForceDeriv(ParticleSet &P, ParticleSet &source, const TWFFastDerivWrapper &psi, const int iat, std::vector< std::vector< ValueMatrix >> &Bforce)	OperatorBase	inlinevirtual
evaluateSR_AA(ParticleSet &P, int itabSelf)	StressPBC
evaluateSR_AB(ParticleSet &P_target)	StressPBC
evaluateValueAndDerivatives(ParticleSet &P, const opt_variables_type &optvars, const Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi)	OperatorBase	virtual
evaluateWithIonDerivs(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_term, ParticleSet::ParticlePos &pulay_term)	OperatorBase	virtual
evaluateWithIonDerivsDeterministic(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_term, ParticleSet::ParticlePos &pulay_term)	OperatorBase	virtual
evaluateWithToperator(ParticleSet &P)	OperatorBase	virtual
first_force_index_	ForceBase	protected
first_time_	ForceBase	protected
firstTimeStress	StressPBC
ForceBase(ParticleSet &ions, ParticleSet &elns)	ForceBase
forces_	ForceBase	protected
forces_ion_ion_	ForceBase	protected
FullPrecRealType typedef	QMCTraits
FullPrecValueType typedef	QMCTraits
g(Real r)	ForceBase	inline
get(std::ostream &os) const override	StressPBC	inlinevirtual
getAddIonIon() const noexcept	ForceBase	inline
getClassName() const override	StressPBC	inlinevirtual
getEnsembleAverage()	OperatorBase	virtual
getForces() const noexcept	ForceBase	inline
getForcesIonIon() const noexcept	ForceBase	inline
getMode(const int i) const noexcept	OperatorBase
getName() const noexcept	OperatorBase
getRequest() noexcept	OperatorBase
getRequiredTraces(TraceManager &tm)	OperatorBase	virtual
getStress() const noexcept	ForceBase	inline
getStressEE() const noexcept	ForceBase	inline
getStressEI() const noexcept	ForceBase	inline
getStressIonIon() const noexcept	ForceBase	inline
getStressKin() const noexcept	ForceBase	inline
getUpdateMode() noexcept	OperatorBase
getValue() const noexcept	OperatorBase
GradMatrix typedef	OperatorBase
GradType typedef	QMCTraits
hasListener() const noexcept	OperatorBase
have_required_traces_	OperatorBase	protected
ii_table_index	StressPBC
IndexType typedef	QMCTraits
informOfPerParticleListener()	OperatorBase	inlinevirtual
initBreakup(ParticleSet &P)	StressPBC
initVarReduction(Real rcut, int m, int numFuncs)	ForceBase
ions_	ForceBase	protected
isClassical() const noexcept	OperatorBase
isClassicalClassical() const noexcept	OperatorBase
isNonLocal() const noexcept	OperatorBase
isQuantum() const noexcept	OperatorBase
isQuantumClassical() const noexcept	OperatorBase
isQuantumQuantum() const noexcept	OperatorBase
KINETIC enum value	OperatorBase
LRHandlerType typedef	StressPBC
m_	ForceBase	protected
makeClone(ParticleSet &qp, TrialWaveFunction &psi) final	StressPBC	virtual
mw_evaluate(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const	OperatorBase	virtual
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) const	OperatorBase	virtual
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) const	OperatorBase	virtual
mw_evaluateWithParameterDerivatives(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< ParticleSet > &p_list, const opt_variables_type &optvars, const RecordArray< ValueType > &dlogpsi, RecordArray< ValueType > &dhpsioverpsi) const	OperatorBase	virtual
mw_evaluateWithToperator(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const	OperatorBase	virtual
my_index_	OperatorBase	protected
n_el_	ForceBase	protected
n_nuc_	ForceBase	protected
name_	OperatorBase	protected
new_value_	OperatorBase	protected
NO_ENERGY_DOMAIN enum value	OperatorBase
NO_QUANTUM_DOMAIN enum value	OperatorBase
NofSpeciesA	StressPBC
NofSpeciesB	StressPBC
NONLOCAL enum value	OperatorBase
NptclA	StressPBC
NptclB	StressPBC
NumSpeciesA	StressPBC
NumSpeciesB	StressPBC
oneBodyQuantumDomain(const ParticleSet &P)	OperatorBase	protected
OperatorBase()	OperatorBase
OPTIMIZABLE enum value	OperatorBase
pair_name_	ForceBase	protected
ParticleScalar typedef	OperatorBase
PHYSICAL enum value	OperatorBase
PosType typedef	QMCTraits
POTENTIAL enum value	OperatorBase
prefix_	ForceBase	protected
PRIMARY enum value	OperatorBase
PropertySetType typedef	QMCTraits
Psi	StressPBC
PtclA	StressPBC
PtclGrpIndexes typedef	QMCTraits
PtclTarg	StressPBC
put(xmlNodePtr cur) override	StressPBC	virtual
Qat	StressPBC
Qspec	StressPBC
QTBase typedef	QMCTraits
QTFull typedef	QMCTraits
QUANTUM enum value	OperatorBase
QUANTUM_CLASSICAL enum value	OperatorBase
QUANTUM_QUANTUM enum value	OperatorBase
QuantumDomains enum name	OperatorBase
RATIOUPDATE enum value	OperatorBase
rcut_	ForceBase	protected
Real typedef	ForceBase
RealType typedef	QMCTraits
registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const	OperatorBase	virtual
registerObservables(std::vector< ObservableHelper > &h5list, hdf_archive &file) const override	StressPBC	inlinevirtual
registerObservablesF(std::vector< ObservableHelper > &h5list, hdf_archive &file) const	ForceBase
rejectedMove(ParticleSet &P)	OperatorBase	virtual
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const	OperatorBase	virtual
request_	OperatorBase	protected
resetTargetParticleSet(ParticleSet &P) override	StressPBC	inlinevirtual
Return_t typedef	OperatorBase
setAddIonIon(bool val) noexcept	ForceBase	inline
setComputeForces(bool compute)	OperatorBase	protectedvirtual
setEnergyDomain(EnergyDomains edomain)	OperatorBase	protected
setForces(const ParticleSet::ParticlePos &forces)	ForceBase
setForces(Real val)	ForceBase
setForcesIonIon(const ParticleSet::ParticlePos &forces_ion_ion)	ForceBase
setHistories(Walker_t &ThisWalker)	OperatorBase	virtual
setName(const std::string name) noexcept	OperatorBase
setObservables(PropertySetType &plist) override	StressPBC	inlinevirtual
setObservablesF(QMCTraits::PropertySetType &plist)	ForceBase
setObservablesStress(QMCTraits::PropertySetType &plist)	ForceBase
setParticlePropertyList(PropertySetType &plist, int offset) override	StressPBC	inlinevirtual
setParticleSetF(QMCTraits::PropertySetType &plist, int offset)	ForceBase
setParticleSetStress(QMCTraits::PropertySetType &plist, int offset)	ForceBase
setQuantumDomain(QuantumDomains qdomain)	OperatorBase	protected
setRandomGenerator(RandomBase< FullPrecRealType > *rng)	OperatorBase	virtual
SPOMap typedef	OperatorBase
streaming_particles_	OperatorBase	protected
stress_	ForceBase	protected
stress_ee_	ForceBase	protected
stress_ee_const	StressPBC
stress_ei_	ForceBase	protected
stress_eI_const	StressPBC
stress_ion_ion_	ForceBase	protected
stress_kin_	ForceBase	protected
StressPBC(ParticleSet &ions, ParticleSet &elns, TrialWaveFunction &Psi)	StressPBC
t_walker_	OperatorBase	protected
TensorType typedef	QMCTraits
tries_	ForceBase	protected
twoBodyQuantumDomain(const ParticleSet &P)	OperatorBase	protected
twoBodyQuantumDomain(const ParticleSet &P1, const ParticleSet &P2)	OperatorBase	protected
update_mode_	OperatorBase	protected
updateSource(ParticleSet &s)	OperatorBase	virtual
value_	OperatorBase	protected
ValueMatrix typedef	OperatorBase
ValueType typedef	QMCTraits
Walker_t typedef	OperatorBase
Zat	StressPBC
Zspec	StressPBC
~ForceBase()	ForceBase	virtual
~OperatorBase()=default	OperatorBase	virtual