| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const | OperatorBase | virtual |
| add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH) | OperatorBase | virtual |
| addObservables(PropertySetType &plist) | EnergyDensityEstimator | inline |
| addObservables(PropertySetType &plist, BufferType &olist) override | EnergyDensityEstimator | virtual |
| addValue(PropertySetType &plist) | OperatorBase | protected |
| BufferType typedef | OperatorBase | |
| checkoutParticleQuantities(TraceManager &tm) | OperatorBase | protectedvirtual |
| checkoutScalarQuantities(TraceManager &tm) override | EnergyDensityEstimator | inlineprivatevirtual |
| checkoutTraceQuantities(TraceManager &tm) | OperatorBase | |
| CLASSICAL enum value | OperatorBase | |
| CLASSICAL_CLASSICAL enum value | OperatorBase | |
| COLLECTABLE enum value | OperatorBase | |
| collectScalarQuantities() override | EnergyDensityEstimator | inlineprivatevirtual |
| collectScalarTraces() | OperatorBase | |
| Complex_t typedef | PtclOnLatticeTraits | |
| ComplexType typedef | QMCTraits | |
| contributeParticleQuantities() | OperatorBase | protectedvirtual |
| contributeScalarQuantities() override | EnergyDensityEstimator | inlineprivatevirtual |
| contributeTraceQuantities() | OperatorBase | |
| createResource(ResourceCollection &collection) const | OperatorBase | virtual |
| defKE | EnergyDensityEstimator | private |
| deleteParticleQuantities() | OperatorBase | protectedvirtual |
| deleteScalarQuantities() override | EnergyDensityEstimator | inlineprivatevirtual |
| deleteTraceQuantities() | OperatorBase | |
| dependsOnWaveFunction() const | OperatorBase | inlinevirtual |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| dtable_index | EnergyDensityEstimator | private |
| EDIonValues | EnergyDensityEstimator | private |
| EDValues | EnergyDensityEstimator | private |
| EnergyDensityEstimator(const PSPool &PSP, const std::string &defaultKE) | EnergyDensityEstimator | |
| EnergyDomains enum name | OperatorBase | |
| evaluate(ParticleSet &P) override | EnergyDensityEstimator | virtual |
| evaluateDeterministic(ParticleSet &P) | OperatorBase | virtual |
| evaluateOneBodyOpMatrix(ParticleSet &P, const TWFFastDerivWrapper &psi, std::vector< ValueMatrix > &B) | OperatorBase | inlinevirtual |
| evaluateOneBodyOpMatrixForceDeriv(ParticleSet &P, ParticleSet &source, const TWFFastDerivWrapper &psi, const int iat, std::vector< std::vector< ValueMatrix >> &Bforce) | OperatorBase | inlinevirtual |
| evaluateValueAndDerivatives(ParticleSet &P, const opt_variables_type &optvars, const Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi) | OperatorBase | virtual |
| evaluateWithIonDerivs(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_term, ParticleSet::ParticlePos &pulay_term) | OperatorBase | virtual |
| evaluateWithIonDerivsDeterministic(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_term, ParticleSet::ParticlePos &pulay_term) | OperatorBase | virtual |
| evaluateWithToperator(ParticleSet &P) | OperatorBase | virtual |
| FullPrecRealType typedef | QMCTraits | |
| FullPrecValueType typedef | QMCTraits | |
| get(std::ostream &os) const override | EnergyDensityEstimator | virtual |
| get_particleset(std::string &psname) | EnergyDensityEstimator | private |
| getClassName() const override | EnergyDensityEstimator | inlinevirtual |
| getEnsembleAverage() | OperatorBase | virtual |
| getMode(const int i) const noexcept | OperatorBase | |
| getName() const noexcept | OperatorBase | |
| getRequest() noexcept | OperatorBase | |
| getRequiredTraces(TraceManager &tm) override | EnergyDensityEstimator | privatevirtual |
| getUpdateMode() noexcept | OperatorBase | |
| getValue() const noexcept | OperatorBase | |
| GradMatrix typedef | OperatorBase | |
| GradType typedef | QMCTraits | |
| hasListener() const noexcept | OperatorBase | |
| have_required_traces_ | OperatorBase | protected |
| Index_t typedef | PtclOnLatticeTraits | |
| IndexType typedef | QMCTraits | |
| informOfPerParticleListener() | OperatorBase | inlinevirtual |
| input_xml | EnergyDensityEstimator | private |
| ion_buffer_offset | EnergyDensityEstimator | private |
| ion_points | EnergyDensityEstimator | private |
| isClassical() const noexcept | OperatorBase | |
| isClassicalClassical() const noexcept | OperatorBase | |
| isNonLocal() const noexcept | OperatorBase | |
| isQuantum() const noexcept | OperatorBase | |
| isQuantumClassical() const noexcept | OperatorBase | |
| isQuantumQuantum() const noexcept | OperatorBase | |
| KINETIC enum value | OperatorBase | |
| makeClone(ParticleSet &qp, TrialWaveFunction &psi) final | EnergyDensityEstimator | virtual |
| mw_evaluate(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const | OperatorBase | virtual |
| 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) const | OperatorBase | virtual |
| 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) const | OperatorBase | virtual |
| mw_evaluateWithParameterDerivatives(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< ParticleSet > &p_list, const opt_variables_type &optvars, const RecordArray< ValueType > &dlogpsi, RecordArray< ValueType > &dhpsioverpsi) const | OperatorBase | virtual |
| mw_evaluateWithToperator(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const | OperatorBase | virtual |
| my_index_ | OperatorBase | protected |
| name_ | OperatorBase | protected |
| nEDValues enum value | EnergyDensityEstimator | private |
| new_value_ | OperatorBase | protected |
| nions | EnergyDensityEstimator | private |
| NO_ENERGY_DOMAIN enum value | OperatorBase | |
| NO_QUANTUM_DOMAIN enum value | OperatorBase | |
| NONLOCAL enum value | OperatorBase | |
| nparticles | EnergyDensityEstimator | private |
| nsamples | EnergyDensityEstimator | private |
| oneBodyQuantumDomain(const ParticleSet &P) | OperatorBase | protected |
| OperatorBase() | OperatorBase | |
| OPTIMIZABLE enum value | OperatorBase | |
| outside_buffer_offset | EnergyDensityEstimator | private |
| ParticleGradient typedef | PtclOnLatticeTraits | |
| ParticleIndex typedef | PtclOnLatticeTraits | |
| ParticleLaplacian typedef | PtclOnLatticeTraits | |
| ParticleLayout typedef | PtclOnLatticeTraits | |
| ParticlePos typedef | PtclOnLatticeTraits | |
| particles_outside | EnergyDensityEstimator | private |
| qmcplusplus::ParticleScalar typedef | OperatorBase | |
| qmcplusplus::PtclOnLatticeTraits::ParticleScalar typedef | PtclOnLatticeTraits | |
| ParticleTensor typedef | PtclOnLatticeTraits | |
| Pdynamic | EnergyDensityEstimator | private |
| PHYSICAL enum value | OperatorBase | |
| Point typedef | EnergyDensityEstimator | |
| PosType typedef | QMCTraits | |
| POTENTIAL enum value | OperatorBase | |
| PRIMARY enum value | OperatorBase | |
| PropertySetType typedef | QMCTraits | |
| psetpool | EnergyDensityEstimator | private |
| PSPool typedef | EnergyDensityEstimator | |
| Pstatic | EnergyDensityEstimator | private |
| PtclGrpIndexes typedef | QMCTraits | |
| put(xmlNodePtr cur) override | EnergyDensityEstimator | virtual |
| put(xmlNodePtr cur, ParticleSet &P) | EnergyDensityEstimator | |
| QTBase typedef | QMCTraits | |
| qmcplusplus::QTFull typedef | QMCTraits | |
| qmcplusplus::PtclOnLatticeTraits::QTFull typedef | PtclOnLatticeTraits | |
| QUANTUM enum value | OperatorBase | |
| QUANTUM_CLASSICAL enum value | OperatorBase | |
| QUANTUM_QUANTUM enum value | OperatorBase | |
| QuantumDomains enum name | OperatorBase | |
| R | EnergyDensityEstimator | private |
| RATIOUPDATE enum value | OperatorBase | |
| RealType typedef | QMCTraits | |
| ref | EnergyDensityEstimator | private |
| registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const override | EnergyDensityEstimator | virtual |
| registerObservables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const | OperatorBase | virtual |
| rejectedMove(ParticleSet &P) | OperatorBase | virtual |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const | OperatorBase | virtual |
| request_ | OperatorBase | protected |
| resetTargetParticleSet(ParticleSet &P) override | EnergyDensityEstimator | virtual |
| Return_t typedef | OperatorBase | |
| Rion | EnergyDensityEstimator | private |
| Rptcl | EnergyDensityEstimator | private |
| Scalar_t typedef | PtclOnLatticeTraits | |
| set_ptcl(void) | EnergyDensityEstimator | private |
| setComputeForces(bool compute) | OperatorBase | protectedvirtual |
| setEnergyDomain(EnergyDomains edomain) | OperatorBase | protected |
| setHistories(Walker_t &ThisWalker) | OperatorBase | virtual |
| setName(const std::string name) noexcept | OperatorBase | |
| setObservables(PropertySetType &plist) override | EnergyDensityEstimator | virtual |
| setParticlePropertyList(PropertySetType &plist, int offset) override | EnergyDensityEstimator | virtual |
| setQuantumDomain(QuantumDomains qdomain) | OperatorBase | protected |
| setRandomGenerator(RandomBase< FullPrecRealType > *rng) | OperatorBase | virtual |
| SingleParticleIndex typedef | PtclOnLatticeTraits | |
| SingleParticlePos typedef | PtclOnLatticeTraits | |
| SingleParticleValue typedef | PtclOnLatticeTraits | |
| spacegrids | EnergyDensityEstimator | private |
| SPOMap typedef | OperatorBase | |
| streaming_particles_ | OperatorBase | protected |
| T enum value | EnergyDensityEstimator | private |
| t_walker_ | OperatorBase | protected |
| Td_trace | EnergyDensityEstimator | private |
| Tensor_t typedef | PtclOnLatticeTraits | |
| TensorType typedef | QMCTraits | |
| twoBodyQuantumDomain(const ParticleSet &P) | OperatorBase | protected |
| twoBodyQuantumDomain(const ParticleSet &P1, const ParticleSet &P2) | OperatorBase | protected |
| unset_ptcl(void) | EnergyDensityEstimator | private |
| update_mode_ | OperatorBase | protected |
| updateSource(ParticleSet &s) | OperatorBase | virtual |
| V enum value | EnergyDensityEstimator | private |
| value_ | OperatorBase | protected |
| ValueMatrix typedef | OperatorBase | |
| ValueType typedef | QMCTraits | |
| Vd_trace | EnergyDensityEstimator | private |
| Vs_trace | EnergyDensityEstimator | private |
| W enum value | EnergyDensityEstimator | private |
| w_trace | EnergyDensityEstimator | private |
| Walker_t typedef | OperatorBase | |
| write_Collectables(std::string &label, int &cnt, ParticleSet &P) | EnergyDensityEstimator | |
| write_description(std::ostream &os) | EnergyDensityEstimator | |
| write_EDValues(void) | EnergyDensityEstimator | |
| write_nonzero_domains(const ParticleSet &P) | EnergyDensityEstimator | |
| Zptcl | EnergyDensityEstimator | private |
| ~EnergyDensityEstimator() override | EnergyDensityEstimator | |
| ~OperatorBase()=default | OperatorBase | virtual |
1.8.14