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QMCPACK
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QMCPACK
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This is the complete list of members for ForceChiesaPBCAA, including all inherited members.
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const | OperatorBase | virtual |
| add2Hamiltonian(ParticleSet &qp, TrialWaveFunction &psi, QMCHamiltonian &targetH) | OperatorBase | virtual |
| add_ion_ion_ | ForceBase | protected |
| addObservables(PropertySetType &plist, BufferType &collectables) override | ForceChiesaPBCAA | virtual |
| addObservablesF(QMCTraits::PropertySetType &plist) | ForceBase | |
| addObservablesStress(QMCTraits::PropertySetType &plist) | ForceBase | |
| addValue(PropertySetType &plist) | OperatorBase | protected |
| BufferType typedef | OperatorBase | |
| c | ForceChiesaPBCAA | |
| checkoutParticleQuantities(TraceManager &tm) | OperatorBase | protectedvirtual |
| checkoutScalarQuantities(TraceManager &tm) | OperatorBase | protectedvirtual |
| checkoutTraceQuantities(TraceManager &tm) | OperatorBase | |
| ck_ | ForceBase | protected |
| 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 | OperatorBase | virtual |
| d_aa_ID | ForceChiesaPBCAA | private |
| d_ei_ID | ForceChiesaPBCAA | private |
| dAB | ForceChiesaPBCAA | |
| deleteParticleQuantities() | OperatorBase | protectedvirtual |
| deleteScalarQuantities() | OperatorBase | protectedvirtual |
| deleteTraceQuantities() | OperatorBase | |
| dependsOnWaveFunction() const | OperatorBase | inlinevirtual |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| EnergyDomains enum name | OperatorBase | |
| evaluate(ParticleSet &P) override | ForceChiesaPBCAA | virtual |
| evaluateDeterministic(ParticleSet &P) | OperatorBase | virtual |
| evaluateLR(ParticleSet &) | ForceChiesaPBCAA | |
| evaluateLR_AA() | ForceChiesaPBCAA | |
| 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 |
| evaluateSR(ParticleSet &) | ForceChiesaPBCAA | |
| evaluateSR_AA() | ForceChiesaPBCAA | |
| 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 |
| first_force_index_ | ForceBase | protected |
| first_time | ForceChiesaPBCAA | |
| first_time_ | ForceBase | protected |
| ForceBase(ParticleSet &ions, ParticleSet &elns) | ForceBase | |
| ForceChiesaPBCAA(ParticleSet &ions, ParticleSet &elns, bool firsttime=true) | ForceChiesaPBCAA | |
| forces_ | ForceBase | protected |
| forces_ion_ion_ | ForceBase | protected |
| FullPrecRealType typedef | QMCTraits | |
| FullPrecValueType typedef | QMCTraits | |
| g(Real r) | ForceBase | inline |
| g_filter(RealType r) | ForceChiesaPBCAA | |
| get(std::ostream &os) const override | ForceChiesaPBCAA | inlinevirtual |
| getAddIonIon() const noexcept | ForceBase | inline |
| getClassName() const override | ForceChiesaPBCAA | inlinevirtual |
| getDistanceTableAAID() const | ForceChiesaPBCAA | inline |
| getEnsembleAverage() | OperatorBase | virtual |
| getForces() const noexcept | ForceBase | inline |
| getForcesIonIon() const noexcept | ForceBase | inline |
| getMode(const int i) const noexcept | OperatorBase | |
| getName() const noexcept | OperatorBase | |
| getRequest() noexcept | OperatorBase | |
| getRequiredTraces(TraceManager &tm) | OperatorBase | virtual |
| getStress() const noexcept | ForceBase | inline |
| getStressEE() const noexcept | ForceBase | inline |
| getStressEI() const noexcept | ForceBase | inline |
| getStressIonIon() const noexcept | ForceBase | inline |
| getStressKin() const noexcept | ForceBase | inline |
| getUpdateMode() noexcept | OperatorBase | |
| getValue() const noexcept | OperatorBase | |
| GradMatrix typedef | OperatorBase | |
| GradType typedef | QMCTraits | |
| GridType typedef | ForceChiesaPBCAA | |
| h | ForceChiesaPBCAA | |
| hasListener() const noexcept | OperatorBase | |
| have_required_traces_ | OperatorBase | protected |
| IndexType typedef | QMCTraits | |
| informOfPerParticleListener() | OperatorBase | inlinevirtual |
| initBreakup(ParticleSet &P) | ForceChiesaPBCAA | |
| InitMatrix() | ForceChiesaPBCAA | |
| initVarReduction(Real rcut, int m, int numFuncs) | ForceBase | |
| ions_ | ForceBase | protected |
| 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 | |
| LRHandlerType typedef | ForceChiesaPBCAA | |
| m_ | ForceBase | protected |
| m_exp | ForceChiesaPBCAA | |
| makeClone(ParticleSet &qp, TrialWaveFunction &psi) final | ForceChiesaPBCAA | 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 |
| N_basis | ForceChiesaPBCAA | |
| n_el_ | ForceBase | protected |
| n_nuc_ | ForceBase | protected |
| name_ | OperatorBase | protected |
| new_value_ | OperatorBase | protected |
| NO_ENERGY_DOMAIN enum value | OperatorBase | |
| NO_QUANTUM_DOMAIN enum value | OperatorBase | |
| NONLOCAL enum value | OperatorBase | |
| NptclA | ForceChiesaPBCAA | |
| NptclB | ForceChiesaPBCAA | |
| NumSpeciesA | ForceChiesaPBCAA | |
| NumSpeciesB | ForceChiesaPBCAA | |
| oneBodyQuantumDomain(const ParticleSet &P) | OperatorBase | protected |
| OperatorBase() | OperatorBase | |
| OPTIMIZABLE enum value | OperatorBase | |
| pair_name_ | ForceBase | protected |
| ParticleScalar typedef | OperatorBase | |
| PHYSICAL enum value | OperatorBase | |
| PosType typedef | QMCTraits | |
| POTENTIAL enum value | OperatorBase | |
| prefix_ | ForceBase | protected |
| PRIMARY enum value | OperatorBase | |
| PropertySetType typedef | QMCTraits | |
| PtclA | ForceChiesaPBCAA | |
| PtclGrpIndexes typedef | QMCTraits | |
| put(xmlNodePtr cur) override | ForceChiesaPBCAA | virtual |
| Qat | ForceChiesaPBCAA | |
| Qspec | ForceChiesaPBCAA | |
| QTBase typedef | QMCTraits | |
| QTFull typedef | QMCTraits | |
| QUANTUM enum value | OperatorBase | |
| QUANTUM_CLASSICAL enum value | OperatorBase | |
| QUANTUM_QUANTUM enum value | OperatorBase | |
| QuantumDomains enum name | OperatorBase | |
| RadFunctorType typedef | ForceChiesaPBCAA | |
| RATIOUPDATE enum value | OperatorBase | |
| Rcut | ForceChiesaPBCAA | |
| rcut_ | ForceBase | protected |
| Real typedef | ForceBase | |
| RealType typedef | QMCTraits | |
| registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const | OperatorBase | virtual |
| registerObservables(std::vector< ObservableHelper > &h5list, hdf_archive &file) const override | ForceChiesaPBCAA | inlinevirtual |
| registerObservablesF(std::vector< ObservableHelper > &h5list, hdf_archive &file) const | ForceBase | |
| rejectedMove(ParticleSet &P) | OperatorBase | virtual |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< OperatorBase > &o_list) const | OperatorBase | virtual |
| request_ | OperatorBase | protected |
| resetTargetParticleSet(ParticleSet &P) override | ForceChiesaPBCAA | virtual |
| Return_t typedef | OperatorBase | |
| setAddIonIon(bool val) noexcept | ForceBase | inline |
| setComputeForces(bool compute) | OperatorBase | protectedvirtual |
| setEnergyDomain(EnergyDomains edomain) | OperatorBase | protected |
| setForces(const ParticleSet::ParticlePos &forces) | ForceBase | |
| setForces(Real val) | ForceBase | |
| setForcesIonIon(const ParticleSet::ParticlePos &forces_ion_ion) | ForceBase | |
| setHistories(Walker_t &ThisWalker) | OperatorBase | virtual |
| setName(const std::string name) noexcept | OperatorBase | |
| setObservables(PropertySetType &plist) override | ForceChiesaPBCAA | inlinevirtual |
| setObservablesF(QMCTraits::PropertySetType &plist) | ForceBase | |
| setObservablesStress(QMCTraits::PropertySetType &plist) | ForceBase | |
| setParticlePropertyList(PropertySetType &plist, int offset) override | ForceChiesaPBCAA | inlinevirtual |
| setParticleSetF(QMCTraits::PropertySetType &plist, int offset) | ForceBase | |
| setParticleSetStress(QMCTraits::PropertySetType &plist, int offset) | ForceBase | |
| setQuantumDomain(QuantumDomains qdomain) | OperatorBase | protected |
| setRandomGenerator(RandomBase< FullPrecRealType > *rng) | OperatorBase | virtual |
| Sinv | ForceChiesaPBCAA | |
| SPOMap typedef | OperatorBase | |
| streaming_particles_ | OperatorBase | protected |
| stress_ | ForceBase | protected |
| stress_ee_ | ForceBase | protected |
| stress_ei_ | ForceBase | protected |
| stress_ion_ion_ | ForceBase | protected |
| stress_kin_ | ForceBase | protected |
| t_walker_ | OperatorBase | protected |
| TensorType typedef | QMCTraits | |
| tries_ | ForceBase | protected |
| twoBodyQuantumDomain(const ParticleSet &P) | OperatorBase | protected |
| twoBodyQuantumDomain(const ParticleSet &P1, const ParticleSet &P2) | OperatorBase | protected |
| update_mode_ | OperatorBase | protected |
| updateSource(ParticleSet &s) | OperatorBase | virtual |
| value_ | OperatorBase | protected |
| ValueMatrix typedef | OperatorBase | |
| ValueType typedef | QMCTraits | |
| Walker_t typedef | OperatorBase | |
| Zat | ForceChiesaPBCAA | |
| Zspec | ForceChiesaPBCAA | |
| ~ForceBase() | ForceBase | virtual |
| ~OperatorBase()=default | OperatorBase | virtual |
1.8.14