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QMCPACK
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QMCPACK
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This is the complete list of members for SOECPotential, including all inherited members.
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const override | SOECPotential | virtual |
| add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH) | OperatorBase | virtual |
| addComponent(int groupID, std::unique_ptr< SOECPComponent > &&pp) | SOECPotential | |
| addObservables(PropertySetType &plist, BufferType &collectables) | OperatorBase | virtual |
| addValue(PropertySetType &plist) | OperatorBase | protected |
| BufferType typedef | OperatorBase | |
| checkoutParticleQuantities(TraceManager &tm) | OperatorBase | protectedvirtual |
| checkoutScalarQuantities(TraceManager &tm) | OperatorBase | protectedvirtual |
| checkoutTraceQuantities(TraceManager &tm) | OperatorBase | |
| CLASSICAL enum value | OperatorBase | |
| CLASSICAL_CLASSICAL enum value | OperatorBase | |
| COLLECTABLE enum value | OperatorBase | |
| collectScalarQuantities() | OperatorBase | protectedvirtual |
| collectScalarTraces() | OperatorBase | |
| ComplexType typedef | QMCTraits | |
| contributeParticleQuantities() | OperatorBase | protectedvirtual |
| contributeScalarQuantities() | OperatorBase | protectedvirtual |
| contributeTraceQuantities() | OperatorBase | |
| createResource(ResourceCollection &collection) const override | SOECPotential | virtual |
| deleteParticleQuantities() | OperatorBase | protectedvirtual |
| deleteScalarQuantities() | OperatorBase | protectedvirtual |
| deleteTraceQuantities() | OperatorBase | |
| dependsOnWaveFunction() const override | SOECPotential | inlinevirtual |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| elec_neighbor_ions_ | SOECPotential | private |
| EnergyDomains enum name | OperatorBase | |
| evaluate(ParticleSet &P) override | SOECPotential | virtual |
| evaluateDeterministic(ParticleSet &P) override | SOECPotential | virtual |
| evaluateImpl(ParticleSet &elec, bool keep_grid=false) | SOECPotential | private |
| 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) override | SOECPotential | 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 | SOECPotential | inlinevirtual |
| getClassName() const override | SOECPotential | inlinevirtual |
| getEnsembleAverage() | OperatorBase | virtual |
| getMode(const int i) const noexcept | OperatorBase | |
| getName() const noexcept | OperatorBase | |
| getRequest() noexcept | OperatorBase | |
| getRequiredTraces(TraceManager &tm) | OperatorBase | virtual |
| getUpdateMode() noexcept | OperatorBase | |
| getValue() const noexcept | OperatorBase | |
| GradMatrix typedef | OperatorBase | |
| GradType typedef | QMCTraits | |
| hasListener() const noexcept | OperatorBase | |
| have_required_traces_ | OperatorBase | protected |
| IndexType typedef | QMCTraits | |
| informOfPerParticleListener() | OperatorBase | inlinevirtual |
| ion_config_ | SOECPotential | protected |
| ion_neighbor_elecs_ | SOECPotential | 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 | SOECPotential | virtual |
| mw_evaluate(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const override | SOECPotential | virtual |
| mw_evaluateImpl(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list, std::optional< ListenerOption< Real >> listeners, bool keep_grid=false) | SOECPotential | protectedstatic |
| mw_evaluatePerParticle(const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::vector< ListenerVector< Real >> &listeners, const std::vector< ListenerVector< Real >> &listeners_ions) const override | SOECPotential | |
| qmcplusplus::OperatorBase::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 |
| mw_res_handle_ | SOECPotential | private |
| my_index_ | OperatorBase | protected |
| my_rng_ | SOECPotential | protected |
| my_table_index_ | SOECPotential | private |
| name_ | OperatorBase | protected |
| new_value_ | OperatorBase | protected |
| NO_ENERGY_DOMAIN enum value | OperatorBase | |
| NO_QUANTUM_DOMAIN enum value | OperatorBase | |
| NONLOCAL enum value | OperatorBase | |
| num_ions_ | SOECPotential | private |
| oneBodyQuantumDomain(const ParticleSet &P) | OperatorBase | protected |
| OperatorBase() | OperatorBase | |
| OPTIMIZABLE enum value | OperatorBase | |
| ParticleScalar typedef | OperatorBase | |
| peln_ | SOECPotential | private |
| PHYSICAL enum value | OperatorBase | |
| PosType typedef | QMCTraits | |
| POTENTIAL enum value | OperatorBase | |
| pp_ | SOECPotential | protected |
| ppset_ | SOECPotential | protected |
| PRIMARY enum value | OperatorBase | |
| PropertySetType typedef | QMCTraits | |
| psi_ | SOECPotential | protected |
| PtclGrpIndexes typedef | QMCTraits | |
| put(xmlNodePtr cur) override | SOECPotential | inlinevirtual |
| QTBase typedef | QMCTraits | |
| QTFull typedef | QMCTraits | |
| QUANTUM enum value | OperatorBase | |
| QUANTUM_CLASSICAL enum value | OperatorBase | |
| QUANTUM_QUANTUM enum value | OperatorBase | |
| QuantumDomains enum name | OperatorBase | |
| RATIOUPDATE enum value | OperatorBase | |
| Real typedef | SOECPotential | private |
| RealType typedef | QMCTraits | |
| registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const | OperatorBase | 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 override | SOECPotential | virtual |
| request_ | OperatorBase | protected |
| resetTargetParticleSet(ParticleSet &P) override | SOECPotential | virtual |
| Return_t typedef | OperatorBase | |
| 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) | OperatorBase | virtual |
| setParticlePropertyList(PropertySetType &plist, int offset) | OperatorBase | virtual |
| setQuantumDomain(QuantumDomains qdomain) | OperatorBase | protected |
| setRandomGenerator(RandomBase< FullPrecRealType > *rng) override | SOECPotential | inlinevirtual |
| SOECPotential(ParticleSet &ions, ParticleSet &els, TrialWaveFunction &psi, bool use_exact_spin) | SOECPotential | |
| sopp_jobs_ | SOECPotential | private |
| SPOMap typedef | OperatorBase | |
| streaming_particles_ | OperatorBase | protected |
| t_walker_ | OperatorBase | protected |
| TensorType typedef | QMCTraits | |
| testing::TestSOECPotential class | SOECPotential | friend |
| twoBodyQuantumDomain(const ParticleSet &P) | OperatorBase | protected |
| twoBodyQuantumDomain(const ParticleSet &P1, const ParticleSet &P2) | OperatorBase | protected |
| update_mode_ | OperatorBase | protected |
| updateSource(ParticleSet &s) | OperatorBase | virtual |
| use_exact_spin_ | SOECPotential | private |
| value_ | OperatorBase | protected |
| ValueMatrix typedef | OperatorBase | |
| ValueType typedef | QMCTraits | |
| Walker_t typedef | OperatorBase | |
| ~OperatorBase()=default | OperatorBase | virtual |
| ~SOECPotential() override | SOECPotential |
1.8.14