QMCPACK
DensityMatrices1B Member List

This is the complete list of members for DensityMatrices1B, including all inherited members.

acceptance_ratioDensityMatrices1B
acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) constOperatorBasevirtual
add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH)OperatorBasevirtual
addObservables(PropertySetType &plist, BufferType &olist) overrideDensityMatrices1Bvirtual
addValue(PropertySetType &plist)OperatorBaseprotected
basis_functionsDensityMatrices1B
basis_gradientsDensityMatrices1B
basis_laplaciansDensityMatrices1B
basis_normsDensityMatrices1B
basis_sizeDensityMatrices1B
basis_valuesDensityMatrices1B
BufferType typedefOperatorBase
centerDensityMatrices1B
check_derivativesDensityMatrices1B
check_overlapDensityMatrices1B
checkoutParticleQuantities(TraceManager &tm)OperatorBaseprotectedvirtual
checkoutScalarQuantities(TraceManager &tm) overrideDensityMatrices1Binlinevirtual
checkoutTraceQuantities(TraceManager &tm)OperatorBase
CLASSICAL enum valueOperatorBase
CLASSICAL_CLASSICAL enum valueOperatorBase
COLLECTABLE enum valueOperatorBase
collectScalarQuantities() overrideDensityMatrices1Binlinevirtual
collectScalarTraces()OperatorBase
compare(const std::string &name, Vector_t &v1, Vector_t &v2, bool write=false, bool diff_only=true)DensityMatrices1B
compare(const std::string &name, Matrix_t &m1, Matrix_t &m2, bool write=false, bool diff_only=true)DensityMatrices1B
ComplexType typedefQMCTraits
contributeParticleQuantities()OperatorBaseprotectedvirtual
contributeScalarQuantities() overrideDensityMatrices1Binlinevirtual
contributeTraceQuantities()OperatorBase
createResource(ResourceCollection &collection) constOperatorBasevirtual
deleteParticleQuantities()OperatorBaseprotectedvirtual
deleteScalarQuantities() overrideDensityMatrices1Binlinevirtual
deleteTraceQuantities()OperatorBase
densDensityMatrices1B
dens_t typedefDensityMatrices1B
density enum valueDensityMatrices1B
density_drift(const PosType &r, RealType &dens, PosType &drift)DensityMatrices1Binline
density_only(const PosType &r, RealType &dens)DensityMatrices1Binline
DensityMatrices1B(ParticleSet &P, TrialWaveFunction &psi, ParticleSet *Pcl)DensityMatrices1B
DensityMatrices1B(DensityMatrices1B &master, ParticleSet &P, TrialWaveFunction &psi)DensityMatrices1B
dependsOnWaveFunction() const overrideDensityMatrices1Binlinevirtual
diffusion(RealType sqt, PosType &diff)DensityMatrices1Binline
DIM enum valueDensityMatrices1B
DIM_VGL enum valueQMCTraits
dpcurDensityMatrices1B
driftDensityMatrices1B
E_BBDensityMatrices1B
E_NDensityMatrices1B
E_sampDensityMatrices1B
E_traceDensityMatrices1B
eindexDensityMatrices1B
energy_matDensityMatrices1B
EnergyDomains enum nameOperatorBase
evaluate(ParticleSet &P) overrideDensityMatrices1Bvirtual
evaluate_check(ParticleSet &P)DensityMatrices1B
evaluate_loop(ParticleSet &P)DensityMatrices1B
evaluate_matrix(ParticleSet &P)DensityMatrices1B
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
evaluatorDensityMatrices1B
evaluators enum nameDensityMatrices1B
finalize()DensityMatrices1B
FullPrecRealType typedefQMCTraits
FullPrecValueType typedefQMCTraits
generate_density_samples(bool save, int steps, RandomBase< FullPrecRealType > &rng)DensityMatrices1Binline
generate_particle_basis(ParticleSet &P, std::vector< Matrix_t *> &Phi_nb)DensityMatrices1B
generate_sample_basis(Matrix_t &Phi_mb)DensityMatrices1B
generate_sample_ratios(std::vector< Matrix_t *> Psi_nm)DensityMatrices1B
generate_samples(RealType weight, int steps=0)DensityMatrices1Binline
generate_uniform_grid(RandomBase< FullPrecRealType > &rng)DensityMatrices1Binline
generate_uniform_samples(RandomBase< FullPrecRealType > &rng)DensityMatrices1Binline
get(std::ostream &os) const overrideDensityMatrices1Binlinevirtual
get_energies(std::vector< Vector_t *> &E_n)DensityMatrices1B
getClassName() const overrideDensityMatrices1Binlinevirtual
getEnsembleAverage()OperatorBasevirtual
getMode(const int i) const noexceptOperatorBase
getName() const noexceptOperatorBase
getRequest() noexceptOperatorBase
getRequiredTraces(TraceManager &tm) overrideDensityMatrices1Bvirtual
getUpdateMode() noexceptOperatorBase
getValue() const noexceptOperatorBase
Grad_t typedefDensityMatrices1B
GradMatrix typedefOperatorBase
GradType typedefQMCTraits
GradVector typedefDensityMatrices1B
hasListener() const noexceptOperatorBase
have_required_traces_OperatorBaseprotected
ind_dimsDensityMatrices1B
IndexType typedefQMCTraits
informOfPerParticleListener()OperatorBaseinlinevirtual
initialize()DensityMatrices1B
initializedDensityMatrices1B
integrate(ParticleSet &P, int n)DensityMatrices1Binline
integrated_valuesDensityMatrices1B
integratorDensityMatrices1B
integrators enum nameDensityMatrices1B
isClassical() const noexceptOperatorBase
isClassicalClassical() const noexceptOperatorBase
isNonLocal() const noexceptOperatorBase
isQuantum() const noexceptOperatorBase
isQuantumClassical() const noexceptOperatorBase
isQuantumQuantum() const noexceptOperatorBase
KINETIC enum valueOperatorBase
lattice_DensityMatrices1B
Lattice_t typedefDensityMatrices1B
loop enum valueDensityMatrices1B
makeClone(ParticleSet &P, TrialWaveFunction &psi) finalDensityMatrices1Bvirtual
match(Value_t e1, Value_t e2, RealType tol=1e-12)DensityMatrices1B
matrix enum valueDensityMatrices1B
Matrix_t typedefDensityMatrices1B
metricDensityMatrices1B
metropolis enum valueDensityMatrices1B
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
N_BBDensityMatrices1B
nacceptedDensityMatrices1B
name_OperatorBaseprotected
new_value_OperatorBaseprotected
nindexDensityMatrices1B
nmovesDensityMatrices1B
NO_ENERGY_DOMAIN enum valueOperatorBase
no_evaluator enum valueDensityMatrices1B
no_integrator enum valueDensityMatrices1B
NO_QUANTUM_DOMAIN enum valueOperatorBase
no_sampling enum valueDensityMatrices1B
NONLOCAL enum valueOperatorBase
normalize()DensityMatrices1Binline
normalizedDensityMatrices1B
nparticlesDensityMatrices1B
nspeciesDensityMatrices1B
oneBodyQuantumDomain(const ParticleSet &P)OperatorBaseprotected
OperatorBase()OperatorBase
OPTIMIZABLE enum valueOperatorBase
ParticleScalar typedefOperatorBase
PcDensityMatrices1B
periodicDensityMatrices1B
Phi_MBDensityMatrices1B
Phi_NBDensityMatrices1B
Phi_Psi_NBDensityMatrices1B
PHYSICAL enum valueOperatorBase
pointsDensityMatrices1B
PosType typedefQMCTraits
POTENTIAL enum valueOperatorBase
PqDensityMatrices1B
PRIMARY enum valueOperatorBase
PropertySetType typedefQMCTraits
PsiDensityMatrices1B
Psi_NMDensityMatrices1B
psi_ratiosDensityMatrices1B
PtclGrpIndexes typedefQMCTraits
pts_t typedefDensityMatrices1B
put(xmlNodePtr cur) overrideDensityMatrices1Bvirtual
QTBase typedefQMCTraits
QTFull typedefQMCTraits
QUANTUM enum valueOperatorBase
QUANTUM_CLASSICAL enum valueOperatorBase
QUANTUM_QUANTUM enum valueOperatorBase
QuantumDomains enum nameOperatorBase
RATIOUPDATE enum valueOperatorBase
rcornerDensityMatrices1B
RealType typedefQMCTraits
registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const overrideDensityMatrices1Bvirtual
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="")DensityMatrices1B
request_OperatorBaseprotected
reset()DensityMatrices1B
resetTargetParticleSet(ParticleSet &P) overrideDensityMatrices1Binlinevirtual
Return_t typedefOperatorBase
rhocurDensityMatrices1B
rpcurDensityMatrices1B
rsamplesDensityMatrices1B
same(Vector_t &v1, Vector_t &v2, RealType tol=1e-6)DensityMatrices1B
same(Matrix_t &m1, Matrix_t &m2, RealType tol=1e-6)DensityMatrices1B
sample_weightsDensityMatrices1B
samplesDensityMatrices1B
samplingDensityMatrices1B
samplings enum nameDensityMatrices1B
scaleDensityMatrices1B
set_state(xmlNodePtr cur)DensityMatrices1B
set_state(DensityMatrices1B &master)DensityMatrices1B
setComputeForces(bool compute)OperatorBaseprotectedvirtual
setEnergyDomain(EnergyDomains edomain)OperatorBaseprotected
setHistories(Walker_t &ThisWalker)OperatorBasevirtual
setName(const std::string name) noexceptOperatorBase
setObservables(PropertySetType &plist) overrideDensityMatrices1Binlinevirtual
setParticlePropertyList(PropertySetType &plist, int offset) overrideDensityMatrices1Binlinevirtual
setQuantumDomain(QuantumDomains qdomain)OperatorBaseprotected
setRandomGenerator(RandomBase< FullPrecRealType > *rng) overrideDensityMatrices1Bvirtual
species_nameDensityMatrices1B
species_sizeDensityMatrices1B
SPOMap typedefOperatorBase
streaming_particles_OperatorBaseprotected
T_traceDensityMatrices1B
t_walker_OperatorBaseprotected
TensorType typedefQMCTraits
test_derivatives()DensityMatrices1B
test_overlap()DensityMatrices1Binline
timersDensityMatrices1Bprotected
timestepDensityMatrices1B
twoBodyQuantumDomain(const ParticleSet &P)OperatorBaseprotected
twoBodyQuantumDomain(const ParticleSet &P1, const ParticleSet &P2)OperatorBaseprotected
uniform enum valueDensityMatrices1B
uniform_grid enum valueDensityMatrices1B
uniform_randomDensityMatrices1B
update_basis(const PosType &r)DensityMatrices1Binline
update_basis_d012(const PosType &r)DensityMatrices1Binline
update_mode_OperatorBaseprotected
updateSource(ParticleSet &s)OperatorBasevirtual
use_driftDensityMatrices1B
value_OperatorBaseprotected
Value_t typedefDensityMatrices1B
ValueMatrix typedefOperatorBase
ValueType typedefQMCTraits
ValueVector typedefDensityMatrices1B
Vc_traceDensityMatrices1B
Vcc_traceDensityMatrices1B
Vector_t typedefDensityMatrices1B
volumeDensityMatrices1B
volume_based enum valueDensityMatrices1B
volume_normedDensityMatrices1B
Vq_traceDensityMatrices1B
Vqc_traceDensityMatrices1B
Vqq_traceDensityMatrices1B
w_traceDensityMatrices1B
Walker_t typedefOperatorBase
warmed_upDensityMatrices1B
warmupDensityMatrices1B
warmup_sampling()DensityMatrices1B
write_acceptance_ratioDensityMatrices1B
write_rstatsDensityMatrices1B
~DensityMatrices1B() overrideDensityMatrices1B
~OperatorBase()=defaultOperatorBasevirtual