QMCPACK
OneBodyDensityMatrices Member List

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

acceptance_ratio_OneBodyDensityMatricesprivate
accumulate(const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, const RefVector< QMCHamiltonian > &hams, RandomBase< FullPrecReal > &rng) overrideOneBodyDensityMatrices
qmcplusplus::OperatorEstBase::accumulate(const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, const RefVector< QMCHamiltonian > &hams, RandomBase< FullPrecRealType > &rng)=0OperatorEstBasepure virtual
basis_functions_OneBodyDensityMatricesprivate
basis_gradients_OneBodyDensityMatricesprivate
basis_laplacians_OneBodyDensityMatricesprivate
basis_norms_OneBodyDensityMatricesprivate
basis_size_OneBodyDensityMatricesprivate
basis_spin_gradients_OneBodyDensityMatricesprivate
basis_values_OneBodyDensityMatricesprivate
calcDensity(const Position &r, Real &dens, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
calcDensityDrift(const Position &r, Real &dens, Position &drift, ParticleSet &pset_target)OneBodyDensityMatricesprivate
calcDensityDriftWithSpin(const Position &r, const Real &s, Real &dens, Position &drift, Real &sdrift, ParticleSet &pset_target)OneBodyDensityMatricesprivate
calcDensityWithSpin(const Position &r, const Real &s, Real &dens, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
calcFullDataSize(size_t basis_size, int num_species)OneBodyDensityMatricesprivate
center_OneBodyDensityMatricesprivate
collect(const RefVector< OperatorEstBase > &oebs)OperatorEstBasevirtual
Data typedefOperatorEstBase
data_OperatorEstBaseprotected
data_locality_OperatorEstBaseprotected
diffuse(const Real sqt, RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesprivate
diffuseSpin(const Real sqt, RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesprivate
dpcur_OneBodyDensityMatricesprivate
dspcur_OneBodyDensityMatricesprivate
evaluateMatrix(ParticleSet &pset_target, TrialWaveFunction &psi_target, const MCPWalker &walker, RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesprivate
Evaluator typedefOneBodyDensityMatrices
FullPrecReal typedefOneBodyDensityMatrices
FullPrecRealType typedefOperatorEstBase
FullPrecValue typedefOneBodyDensityMatrices
generateDensitySamples(bool save, int steps, RandomBase< FullPrecReal > &rng, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
generateDensitySamplesWithSpin(bool save, int steps, RandomBase< FullPrecReal > &rng, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
generateParticleBasis(ParticleSet &pset_target, std::vector< Matrix< Value >> &phi_nb)OneBodyDensityMatricesprivate
generateSampleBasis(Matrix< Value > &Phi_mb, ParticleSet &pset_target, TrialWaveFunction &psi_target)OneBodyDensityMatricesprivate
generateSampleRatios(ParticleSet &pset_target, TrialWaveFunction &psi_target, std::vector< Matrix< Value >> &Psi_nm)OneBodyDensityMatricesprivate
generateSamples(const Real weight, ParticleSet &pset_target, RandomBase< FullPrecReal > &rng, int steps=0)OneBodyDensityMatricesprivate
generateUniformGrid(RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesinlineprivate
generateUniformSamples(RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesinlineprivate
get_data()OperatorEstBaseinline
get_data_locality() constOperatorEstBaseinline
get_my_name() constOperatorEstBaseinline
get_walkers_weight() constOperatorEstBaseinline
Grad typedefOneBodyDensityMatrices
h5desc_OperatorEstBaseprotected
implAccumulate(const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesprivate
ind_dims_OneBodyDensityMatricesprivate
input_OneBodyDensityMatricesprivate
Integrator typedefOneBodyDensityMatrices
is_spinor_OneBodyDensityMatricesprivate
isListenerRequired()OperatorEstBaseinline
Lattice typedefOneBodyDensityMatrices
lattice_OneBodyDensityMatricesprivate
MCPWalker typedefOperatorEstBase
metric_OneBodyDensityMatricesprivate
my_name_OperatorEstBaseprotected
N_BB_OneBodyDensityMatricesprivate
naccepted_OneBodyDensityMatricesprivate
nmoves_OneBodyDensityMatricesprivate
normalize(QMCT::RealType invToWgt)OperatorEstBasevirtual
normalizeBasis(ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
OneBodyDensityMatrices(OneBodyDensityMatricesInput &&obdmi, const Lattice &lattice, const SpeciesSet &species, const SPOMap &spomap, const ParticleSet &pset_target)OneBodyDensityMatrices
OneBodyDensityMatrices(const OneBodyDensityMatrices &obdm, DataLocality dl)OneBodyDensityMatrices
OneBodyDensityMatrices(const OneBodyDensityMatrices &obdm)=defaultOneBodyDensityMatricesprivate
OperatorEstBase(DataLocality dl)OperatorEstBase
OperatorEstBase(const OperatorEstBase &oth)OperatorEstBase
periodic_OneBodyDensityMatricesprivate
Phi_MB_OneBodyDensityMatricesprivate
Phi_NB_OneBodyDensityMatricesprivate
Phi_Psi_NB_OneBodyDensityMatricesprivate
Position typedefOneBodyDensityMatrices
Psi_NM_OneBodyDensityMatricesprivate
psi_ratios_OneBodyDensityMatricesprivate
QMCT typedefOperatorEstBase
rcorner_OneBodyDensityMatricesprivate
Real typedefOneBodyDensityMatrices
registerListeners(QMCHamiltonian &ham_leader)OperatorEstBaseinlinevirtual
registerOperatorEstimator(hdf_archive &file) overrideOneBodyDensityMatricesvirtual
report(const std::string &pad="")OneBodyDensityMatricesprivate
requires_listener_OperatorEstBaseprotected
rhocur_OneBodyDensityMatricesprivate
rpcur_OneBodyDensityMatricesprivate
rsamples_OneBodyDensityMatricesprivate
samples_OneBodyDensityMatricesprivate
samples_weights_OneBodyDensityMatricesprivate
Sampling enum nameOneBodyDensityMatrices
sampling_OneBodyDensityMatricesprivate
spawnCrowdClone() const overrideOneBodyDensityMatricesvirtual
spcur_OneBodyDensityMatricesprivate
species_OneBodyDensityMatricesprivate
species_names_OneBodyDensityMatricesprivate
species_sizes_OneBodyDensityMatricesprivate
SPOMap typedefOneBodyDensityMatrices
ssamples_OneBodyDensityMatricesprivate
startBlock(int steps) overrideOneBodyDensityMatricesvirtual
testing::OneBodyDensityMatricesTests classOneBodyDensityMatricesfriend
timers_OneBodyDensityMatricesprivate
updateBasis(const Position &r, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
updateBasisD012(const Position &r, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
updateBasisD012WithSpin(const Position &r, const Real &s, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
updateBasisWithSpin(const Position &r, const Real &s, ParticleSet &pset_target)OneBodyDensityMatricesinlineprivate
Value typedefOneBodyDensityMatrices
volume_OneBodyDensityMatricesprivate
walkers_weight_OperatorEstBaseprotected
warmed_up_OneBodyDensityMatricesprivate
warmupSampling(ParticleSet &pset_target, RandomBase< FullPrecReal > &rng)OneBodyDensityMatricesprivate
write(hdf_archive &file)OperatorEstBase
zero()OperatorEstBase
~OperatorEstBase()=defaultOperatorEstBasevirtual