QMCPACK
OrbitalImages Member List

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

abs2_val enum valueOrbitalImages
abs_val enum valueOrbitalImages
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) constOperatorBasevirtual
add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH)OperatorBasevirtual
addObservables(PropertySetType &plist, BufferType &olist) overrideOrbitalImagesinlinevirtual
addValue(PropertySetType &plist)OperatorBaseprotected
batch_gradientsOrbitalImages
batch_laplaciansOrbitalImages
batch_sizeOrbitalImages
batch_valuesOrbitalImages
BufferType typedefOperatorBase
cellOrbitalImages
center_gridOrbitalImages
checkout_scalar_arrays(TraceManager &tm)OrbitalImagesinline
checkoutParticleQuantities(TraceManager &tm)OperatorBaseprotectedvirtual
checkoutScalarQuantities(TraceManager &tm)OperatorBaseprotectedvirtual
checkoutTraceQuantities(TraceManager &tm)OperatorBase
CLASSICAL enum valueOperatorBase
CLASSICAL_CLASSICAL enum valueOperatorBase
collect_scalar_samples()OrbitalImagesinline
COLLECTABLE enum valueOperatorBase
collectScalarQuantities()OperatorBaseprotectedvirtual
collectScalarTraces()OperatorBase
commOrbitalImages
ComplexType typedefQMCTraits
contributeParticleQuantities()OperatorBaseprotectedvirtual
contributeScalarQuantities()OperatorBaseprotectedvirtual
contributeTraceQuantities()OperatorBase
cornerOrbitalImages
createResource(ResourceCollection &collection) constOperatorBasevirtual
delete_scalar_arrays()OrbitalImagesinline
deleteParticleQuantities()OperatorBaseprotectedvirtual
deleteScalarQuantities()OperatorBaseprotectedvirtual
deleteTraceQuantities()OperatorBase
dependsOnWaveFunction() constOperatorBaseinlinevirtual
derivative_types_enum enum nameOrbitalImages
derivativesOrbitalImages
DIM enum valueOrbitalImages
DIM_VGL enum valueQMCTraits
EnergyDomains enum nameOperatorBase
evaluate(ParticleSet &P) overrideOrbitalImagesvirtual
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
formatOrbitalImages
formats_enum enum nameOrbitalImages
FullPrecRealType typedefQMCTraits
FullPrecValueType typedefQMCTraits
gdimsOrbitalImages
get(std::ostream &os) const overrideOrbitalImagesinlinevirtual
getClassName() const overrideOrbitalImagesinlinevirtual
getEnsembleAverage()OperatorBasevirtual
getMode(const int i) const noexceptOperatorBase
getName() const noexceptOperatorBase
getRequest() noexceptOperatorBase
getRequiredTraces(TraceManager &tm)OperatorBasevirtual
getUpdateMode() noexceptOperatorBase
getValue() const noexceptOperatorBase
gradient_d enum valueOrbitalImages
GradMatrix typedefOperatorBase
GradType typedefQMCTraits
GradVector typedefOrbitalImages
gridOrbitalImages
hasListener() const noexceptOperatorBase
have_required_traces_OperatorBaseprotected
imag_val enum valueOrbitalImages
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
laplacian_d enum valueOrbitalImages
Lattice_t typedefOrbitalImages
makeClone(ParticleSet &P, TrialWaveFunction &psi) finalOrbitalImagesvirtual
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
npointsOrbitalImages
oneBodyQuantumDomain(const ParticleSet &P)OperatorBaseprotected
OperatorBase()OperatorBase
OPTIMIZABLE enum valueOperatorBase
orbitalOrbitalImages
OrbitalImages(ParticleSet &P, const PSPool &PSP, Communicate *mpicomm, const SPOMap &spomap)OrbitalImages
OrbitalImages(const OrbitalImages &other)OrbitalImages
ParticleScalar typedefOperatorBase
PelnOrbitalImages
PHYSICAL enum valueOperatorBase
PionOrbitalImages
PosType typedefQMCTraits
POTENTIAL enum valueOperatorBase
PRIMARY enum valueOperatorBase
PropertySetType typedefQMCTraits
psetpoolOrbitalImages
PSPool typedefOrbitalImages
PtclGrpIndexes typedefQMCTraits
put(xmlNodePtr cur) overrideOrbitalImagesvirtual
QTBase typedefQMCTraits
QTFull typedefQMCTraits
QUANTUM enum valueOperatorBase
QUANTUM_CLASSICAL enum valueOperatorBase
QUANTUM_QUANTUM enum valueOperatorBase
QuantumDomains enum nameOperatorBase
RATIOUPDATE enum valueOperatorBase
real_val enum valueOrbitalImages
RealType typedefQMCTraits
registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const overrideOrbitalImagesinlinevirtual
registerObservables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) constOperatorBasevirtual
rejectedMove(ParticleSet &P)OperatorBasevirtual
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) constOperatorBasevirtual
report(const std::string &pad)OrbitalImages
request_OperatorBaseprotected
resetTargetParticleSet(ParticleSet &P) overrideOrbitalImagesinlinevirtual
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) overrideOrbitalImagesinlinevirtual
setParticlePropertyList(PropertySetType &plist, int offset) overrideOrbitalImagesinlinevirtual
setQuantumDomain(QuantumDomains qdomain)OperatorBaseprotected
setRandomGenerator(RandomBase< FullPrecRealType > *rng)OperatorBasevirtual
spo_gtmpOrbitalImages
spo_ltmpOrbitalImages
spo_vtmpOrbitalImages
SPOMap typedefOperatorBase
spomap_OrbitalImagesprivate
sposet_indicesOrbitalImages
sposet_namesOrbitalImages
sposetsOrbitalImages
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
value_d enum valueOrbitalImages
value_typesOrbitalImages
value_types_enum enum nameOrbitalImages
ValueMatrix typedefOperatorBase
ValueType typedefQMCTraits
ValueVector typedefOrbitalImages
Walker_t typedefOperatorBase
write_orbital(const std::string &sponame, int index, std::vector< ValueType > &orb, value_types_enum value_type, derivative_types_enum derivative_type=value_d, int dimension=0)OrbitalImages
write_orbital_xsf(const std::string &sponame, int index, std::vector< ValueType > &orb, value_types_enum value_type, derivative_types_enum derivative_type=value_d, int dimension=0)OrbitalImages
xsf enum valueOrbitalImages
~OperatorBase()=defaultOperatorBasevirtual