acceptance_ratio_ | OneBodyDensityMatrices | private |
accumulate(const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, const RefVector< QMCHamiltonian > &hams, RandomBase< FullPrecReal > &rng) override | OneBodyDensityMatrices | |
qmcplusplus::OperatorEstBase::accumulate(const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, const RefVector< QMCHamiltonian > &hams, RandomBase< FullPrecRealType > &rng)=0 | OperatorEstBase | pure virtual |
basis_functions_ | OneBodyDensityMatrices | private |
basis_gradients_ | OneBodyDensityMatrices | private |
basis_laplacians_ | OneBodyDensityMatrices | private |
basis_norms_ | OneBodyDensityMatrices | private |
basis_size_ | OneBodyDensityMatrices | private |
basis_spin_gradients_ | OneBodyDensityMatrices | private |
basis_values_ | OneBodyDensityMatrices | private |
calcDensity(const Position &r, Real &dens, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
calcDensityDrift(const Position &r, Real &dens, Position &drift, ParticleSet &pset_target) | OneBodyDensityMatrices | private |
calcDensityDriftWithSpin(const Position &r, const Real &s, Real &dens, Position &drift, Real &sdrift, ParticleSet &pset_target) | OneBodyDensityMatrices | private |
calcDensityWithSpin(const Position &r, const Real &s, Real &dens, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
calcFullDataSize(size_t basis_size, int num_species) | OneBodyDensityMatrices | private |
center_ | OneBodyDensityMatrices | private |
collect(const RefVector< OperatorEstBase > &oebs) | OperatorEstBase | virtual |
Data typedef | OperatorEstBase | |
data_ | OperatorEstBase | protected |
data_locality_ | OperatorEstBase | protected |
diffuse(const Real sqt, RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | private |
diffuseSpin(const Real sqt, RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | private |
dpcur_ | OneBodyDensityMatrices | private |
dspcur_ | OneBodyDensityMatrices | private |
evaluateMatrix(ParticleSet &pset_target, TrialWaveFunction &psi_target, const MCPWalker &walker, RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | private |
Evaluator typedef | OneBodyDensityMatrices | |
FullPrecReal typedef | OneBodyDensityMatrices | |
FullPrecRealType typedef | OperatorEstBase | |
FullPrecValue typedef | OneBodyDensityMatrices | |
generateDensitySamples(bool save, int steps, RandomBase< FullPrecReal > &rng, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
generateDensitySamplesWithSpin(bool save, int steps, RandomBase< FullPrecReal > &rng, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
generateParticleBasis(ParticleSet &pset_target, std::vector< Matrix< Value >> &phi_nb) | OneBodyDensityMatrices | private |
generateSampleBasis(Matrix< Value > &Phi_mb, ParticleSet &pset_target, TrialWaveFunction &psi_target) | OneBodyDensityMatrices | private |
generateSampleRatios(ParticleSet &pset_target, TrialWaveFunction &psi_target, std::vector< Matrix< Value >> &Psi_nm) | OneBodyDensityMatrices | private |
generateSamples(const Real weight, ParticleSet &pset_target, RandomBase< FullPrecReal > &rng, int steps=0) | OneBodyDensityMatrices | private |
generateUniformGrid(RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | inlineprivate |
generateUniformSamples(RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | inlineprivate |
get_data() | OperatorEstBase | inline |
get_data_locality() const | OperatorEstBase | inline |
get_my_name() const | OperatorEstBase | inline |
get_walkers_weight() const | OperatorEstBase | inline |
Grad typedef | OneBodyDensityMatrices | |
h5desc_ | OperatorEstBase | protected |
implAccumulate(const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | private |
ind_dims_ | OneBodyDensityMatrices | private |
input_ | OneBodyDensityMatrices | private |
Integrator typedef | OneBodyDensityMatrices | |
is_spinor_ | OneBodyDensityMatrices | private |
isListenerRequired() | OperatorEstBase | inline |
Lattice typedef | OneBodyDensityMatrices | |
lattice_ | OneBodyDensityMatrices | private |
MCPWalker typedef | OperatorEstBase | |
metric_ | OneBodyDensityMatrices | private |
my_name_ | OperatorEstBase | protected |
N_BB_ | OneBodyDensityMatrices | private |
naccepted_ | OneBodyDensityMatrices | private |
nmoves_ | OneBodyDensityMatrices | private |
normalize(QMCT::RealType invToWgt) | OperatorEstBase | virtual |
normalizeBasis(ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
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)=default | OneBodyDensityMatrices | private |
OperatorEstBase(DataLocality dl) | OperatorEstBase | |
OperatorEstBase(const OperatorEstBase &oth) | OperatorEstBase | |
periodic_ | OneBodyDensityMatrices | private |
Phi_MB_ | OneBodyDensityMatrices | private |
Phi_NB_ | OneBodyDensityMatrices | private |
Phi_Psi_NB_ | OneBodyDensityMatrices | private |
Position typedef | OneBodyDensityMatrices | |
Psi_NM_ | OneBodyDensityMatrices | private |
psi_ratios_ | OneBodyDensityMatrices | private |
QMCT typedef | OperatorEstBase | |
rcorner_ | OneBodyDensityMatrices | private |
Real typedef | OneBodyDensityMatrices | |
registerListeners(QMCHamiltonian &ham_leader) | OperatorEstBase | inlinevirtual |
registerOperatorEstimator(hdf_archive &file) override | OneBodyDensityMatrices | virtual |
report(const std::string &pad="") | OneBodyDensityMatrices | private |
requires_listener_ | OperatorEstBase | protected |
rhocur_ | OneBodyDensityMatrices | private |
rpcur_ | OneBodyDensityMatrices | private |
rsamples_ | OneBodyDensityMatrices | private |
samples_ | OneBodyDensityMatrices | private |
samples_weights_ | OneBodyDensityMatrices | private |
Sampling enum name | OneBodyDensityMatrices | |
sampling_ | OneBodyDensityMatrices | private |
spawnCrowdClone() const override | OneBodyDensityMatrices | virtual |
spcur_ | OneBodyDensityMatrices | private |
species_ | OneBodyDensityMatrices | private |
species_names_ | OneBodyDensityMatrices | private |
species_sizes_ | OneBodyDensityMatrices | private |
SPOMap typedef | OneBodyDensityMatrices | |
ssamples_ | OneBodyDensityMatrices | private |
startBlock(int steps) override | OneBodyDensityMatrices | virtual |
testing::OneBodyDensityMatricesTests class | OneBodyDensityMatrices | friend |
timers_ | OneBodyDensityMatrices | private |
updateBasis(const Position &r, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
updateBasisD012(const Position &r, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
updateBasisD012WithSpin(const Position &r, const Real &s, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
updateBasisWithSpin(const Position &r, const Real &s, ParticleSet &pset_target) | OneBodyDensityMatrices | inlineprivate |
Value typedef | OneBodyDensityMatrices | |
volume_ | OneBodyDensityMatrices | private |
walkers_weight_ | OperatorEstBase | protected |
warmed_up_ | OneBodyDensityMatrices | private |
warmupSampling(ParticleSet &pset_target, RandomBase< FullPrecReal > &rng) | OneBodyDensityMatrices | private |
write(hdf_archive &file) | OperatorEstBase | |
zero() | OperatorEstBase | |
~OperatorEstBase()=default | OperatorEstBase | virtual |