QMCPACK
ACForce Member List

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

ACForce(ParticleSet &source, ParticleSet &target, TrialWaveFunction &psi, QMCHamiltonian &H)ACForce
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) constOperatorBasevirtual
add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH) finalACForcevirtual
addObservables(PropertySetType &plist, BufferType &collectables) finalACForcevirtual
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
compute_regularizer_f(const ParticleGradient &G, const RealType epsilon)ACForcestatic
contributeParticleQuantities()OperatorBaseprotectedvirtual
contributeScalarQuantities()OperatorBaseprotectedvirtual
contributeTraceQuantities()OperatorBase
createResource(ResourceCollection &collection) constOperatorBasevirtual
deleteParticleQuantities()OperatorBaseprotectedvirtual
deleteScalarQuantities()OperatorBaseprotectedvirtual
deleteTraceQuantities()OperatorBase
delta_ACForceprivate
dependsOnWaveFunction() const overrideACForceinlinevirtual
DIM enum valueQMCTraits
DIM_VGL enum valueQMCTraits
elns_ACForceprivate
EnergyDomains enum nameOperatorBase
evaluate(ParticleSet &P) finalACForcevirtual
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
f_epsilon_ACForceprivate
fastDerivatives_ACForceprivate
first_force_index_ACForceprivate
Forces typedefACForce
FullPrecRealType typedefQMCTraits
FullPrecValueType typedefQMCTraits
get(std::ostream &os) const finalACForcevirtual
getClassName() const overrideACForceinlinevirtual
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
ham_ACForceprivate
hasListener() const noexceptOperatorBase
have_required_traces_OperatorBaseprotected
hf_force_ACForceprivate
IndexType typedefQMCTraits
informOfPerParticleListener()OperatorBaseinlinevirtual
ions_ACForceprivate
isClassical() const noexceptOperatorBase
isClassicalClassical() const noexceptOperatorBase
isNonLocal() const noexceptOperatorBase
isQuantum() const noexceptOperatorBase
isQuantumClassical() const noexceptOperatorBase
isQuantumQuantum() const noexceptOperatorBase
KINETIC enum valueOperatorBase
makeClone(ParticleSet &qp, TrialWaveFunction &psi) finalACForcevirtual
makeClone(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &H)ACForce
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
oneBodyQuantumDomain(const ParticleSet &P)OperatorBaseprotected
OperatorBase()OperatorBase
OPTIMIZABLE enum valueOperatorBase
ParticleGradient typedefACForce
ParticleScalar typedefOperatorBase
PHYSICAL enum valueOperatorBase
PosType typedefQMCTraits
POTENTIAL enum valueOperatorBase
PRIMARY enum valueOperatorBase
PropertySetType typedefQMCTraits
psi_ACForceprivate
psi_wrapper_ACForceprivate
PtclGrpIndexes typedefQMCTraits
pulay_force_ACForceprivate
put(xmlNodePtr cur) finalACForcevirtual
QTBase typedefQMCTraits
QTFull typedefQMCTraits
QUANTUM enum valueOperatorBase
QUANTUM_CLASSICAL enum valueOperatorBase
QUANTUM_QUANTUM enum valueOperatorBase
QuantumDomains enum nameOperatorBase
RATIOUPDATE enum valueOperatorBase
RealType typedefQMCTraits
reg_epsilon_ACForceprivate
registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) constOperatorBasevirtual
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) finalACForcevirtual
Return_t typedefOperatorBase
setComputeForces(bool compute)OperatorBaseprotectedvirtual
setEnergyDomain(EnergyDomains edomain)OperatorBaseprotected
setHistories(Walker_t &ThisWalker)OperatorBasevirtual
setName(const std::string name) noexceptOperatorBase
setObservables(PropertySetType &plist) finalACForcevirtual
setParticlePropertyList(PropertySetType &plist, int offset) finalACForcevirtual
setQuantumDomain(QuantumDomains qdomain)OperatorBaseprotected
setRandomGenerator(RandomBase< FullPrecRealType > *rng)OperatorBasevirtual
SPOMap typedefOperatorBase
streaming_particles_OperatorBaseprotected
sw_grad_ACForceprivate
sw_pulay_ACForceprivate
swt_ACForceprivate
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
useSpaceWarp_ACForceprivate
value_OperatorBaseprotected
ValueMatrix typedefOperatorBase
ValueType typedefQMCTraits
Walker_t typedefOperatorBase
wf_grad_ACForceprivate
~ACForce() override=defaultACForce
~OperatorBase()=defaultOperatorBasevirtual