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QMCPACK
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QMCPACK
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This is the complete list of members for QMCHamiltonian, including all inherited members.
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< QMCHamiltonian > &ham_list) | QMCHamiltonian | static |
| addObservables(ParticleSet &P) | QMCHamiltonian | |
| addOperator(std::unique_ptr< OperatorBase > &&h, const std::string &aname, bool physical=true) | QMCHamiltonian | |
| addOperatorType(const std::string &name, const std::string &type) | QMCHamiltonian | |
| age_sample | QMCHamiltonian | private |
| auxH | QMCHamiltonian | private |
| auxHevaluate(ParticleSet &P) | QMCHamiltonian | |
| auxHevaluate(ParticleSet &P, Walker_t &ThisWalker) | QMCHamiltonian | |
| auxHevaluate(ParticleSet &P, Walker_t &ThisWalker, bool do_properties, bool do_collectables) | QMCHamiltonian | |
| available_quantities_ | QMCHamiltonian | privatestatic |
| BufferType typedef | QMCHamiltonian | |
| collect_walker_traces(Walker_t &walker, int step) | QMCHamiltonian | |
| computeL2D(ParticleSet &P, int iel, TensorType &D) | QMCHamiltonian | inline |
| computeL2DK(ParticleSet &P, int iel, TensorType &D, PosType &K) | QMCHamiltonian | inline |
| createResource(ResourceCollection &collection) const | QMCHamiltonian | |
| DIM enum value | QMCHamiltonian | |
| eval_ion_derivs_fast_timer_ | QMCHamiltonian | private |
| eval_vals_derivs_timer_ | QMCHamiltonian | private |
| evaluate(ParticleSet &P) | QMCHamiltonian | |
| evaluateDeterministic(ParticleSet &P) | QMCHamiltonian | |
| evaluateElecGrad(ParticleSet &P, TrialWaveFunction &psi, ParticleSet::ParticlePos &EGrad, RealType delta=1e-5) | QMCHamiltonian | |
| evaluateIonDerivs(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_terms, ParticleSet::ParticlePos &pulay_terms, ParticleSet::ParticlePos &wf_grad) | QMCHamiltonian | |
| evaluateIonDerivsDeterministic(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi, ParticleSet::ParticlePos &hf_terms, ParticleSet::ParticlePos &pulay_terms, ParticleSet::ParticlePos &wf_grad) | QMCHamiltonian | |
| evaluateIonDerivsDeterministicFast(ParticleSet &P, ParticleSet &ions, TrialWaveFunction &psi_in, TWFFastDerivWrapper &psi_wrapper, ParticleSet::ParticlePos &dedr, ParticleSet::ParticlePos &wf_grad) | QMCHamiltonian | |
| evaluateValueAndDerivatives(ParticleSet &P, const opt_variables_type &optvars, Vector< ValueType > &dlogpsi, Vector< ValueType > &dhpsioverpsi) | QMCHamiltonian | |
| evaluateVariableEnergy(ParticleSet &P, bool free_nlpp) | QMCHamiltonian | |
| evaluateWithToperator(ParticleSet &P) | QMCHamiltonian | |
| extract_HC_list(const RefVectorWithLeader< QMCHamiltonian > &ham_list, int id) | QMCHamiltonian | privatestatic |
| finalize_traces() | QMCHamiltonian | |
| FullPrecRealType typedef | QMCHamiltonian | |
| gen_sample | QMCHamiltonian | private |
| get(std::ostream &os) const | QMCHamiltonian | |
| getEnsembleAverage() | QMCHamiltonian | |
| getHamiltonian(const std::string &aname) | QMCHamiltonian | |
| getHamiltonian(int i) | QMCHamiltonian | inline |
| getKineticEnergy() | QMCHamiltonian | inline |
| getLocalEnergy() | QMCHamiltonian | inline |
| getLocalPotential() | QMCHamiltonian | inline |
| getName() const | QMCHamiltonian | inline |
| getObservable(int i) const | QMCHamiltonian | inline |
| getObservable(std::string Oname) const | QMCHamiltonian | inline |
| getObservableName(int i) const | QMCHamiltonian | inline |
| getOperatorType(const std::string &name) | QMCHamiltonian | |
| getTWFDependentComponents() | QMCHamiltonian | |
| H | QMCHamiltonian | private |
| ham_timer_ | QMCHamiltonian | private |
| HamiltonianFactory class | QMCHamiltonian | friend |
| has_L2() | QMCHamiltonian | inline |
| id_sample | QMCHamiltonian | private |
| informOperatorsOfListener() | QMCHamiltonian | |
| initialize_traces(TraceManager &tm, ParticleSet &P) | QMCHamiltonian | |
| KineticEnergy | QMCHamiltonian | private |
| l2_ptr | QMCHamiltonian | private |
| LocalEnergy | QMCHamiltonian | private |
| makeClone(ParticleSet &qp, TrialWaveFunction &psi) const | QMCHamiltonian | |
| makeNonLocalMoves(ParticleSet &P) | QMCHamiltonian | |
| mult_sample | QMCHamiltonian | private |
| mw_evaluate(const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) | QMCHamiltonian | static |
| mw_evaluateValueAndDerivatives(const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list, const opt_variables_type &optvars, RecordArray< ValueType > &dlogpsi, RecordArray< ValueType > &dhpsioverpsi) | QMCHamiltonian | static |
| mw_evaluateWithToperator(const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) | QMCHamiltonian | static |
| mw_makeNonLocalMoves(const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) | QMCHamiltonian | static |
| mw_registerKineticListener(QMCHamiltonian &ham_leader, ListenerVector< RealType > listener) | QMCHamiltonian | static |
| mw_registerLocalEnergyListener(QMCHamiltonian &ham_leader, ListenerVector< RealType > listener) | QMCHamiltonian | static |
| mw_registerLocalIonPotentialListener(QMCHamiltonian &ham_leader, ListenerVector< RealType > listener) | QMCHamiltonian | static |
| mw_registerLocalPotentialListener(QMCHamiltonian &ham_leader, ListenerVector< RealType > listener) | QMCHamiltonian | static |
| mw_res_handle_ | QMCHamiltonian | private |
| my_timers_ | QMCHamiltonian | private |
| myIndex | QMCHamiltonian | private |
| myName | QMCHamiltonian | private |
| NewLocalEnergy | QMCHamiltonian | private |
| nlpp_ptr | QMCHamiltonian | private |
| numCollectables | QMCHamiltonian | private |
| Observables | QMCHamiltonian | private |
| operator_types | QMCHamiltonian | private |
| pid_sample | QMCHamiltonian | private |
| position_sample | QMCHamiltonian | private |
| PosType typedef | QMCHamiltonian | |
| PropertySetType typedef | QMCHamiltonian | |
| QMCHamiltonian(const std::string &aname="psi0") | QMCHamiltonian | |
| RealType typedef | QMCHamiltonian | |
| registerCollectables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const | QMCHamiltonian | |
| registerObservables(std::vector< ObservableHelper > &h5desc, hdf_archive &file) const | QMCHamiltonian | |
| rejectedMove(ParticleSet &P, Walker_t &ThisWalker) | QMCHamiltonian | |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< QMCHamiltonian > &ham_list) | QMCHamiltonian | static |
| reportToListeners() | QMCHamiltonian | private |
| request | QMCHamiltonian | private |
| resetObservables(int start, int ncollects) | QMCHamiltonian | private |
| resetTargetParticleSet(ParticleSet &P) | QMCHamiltonian | |
| Return_t typedef | QMCHamiltonian | |
| saveProperty(IT first) | QMCHamiltonian | inline |
| setNonLocalMoves(xmlNodePtr cur) | QMCHamiltonian | |
| setNonLocalMoves(const std::string &non_local_move_option, const double tau, const double alpha, const double gamma) | QMCHamiltonian | |
| setPrimary(bool primary) | QMCHamiltonian | inline |
| setProperty(IT first) | QMCHamiltonian | inline |
| setRandomGenerator(RandomBase< FullPrecRealType > *rng) | QMCHamiltonian | |
| size() const | QMCHamiltonian | inline |
| sizeOfCollectables() const | QMCHamiltonian | inline |
| sizeOfObservables() const | QMCHamiltonian | inline |
| startIndex() const | QMCHamiltonian | inline |
| step_sample | QMCHamiltonian | private |
| streaming_position | QMCHamiltonian | private |
| TensorType typedef | QMCHamiltonian | |
| total_size() const | QMCHamiltonian | inline |
| updateComponent(OperatorBase &op, QMCHamiltonian &ham, ParticleSet &pset) | QMCHamiltonian | static |
| updateKinetic(QMCHamiltonian &ham, ParticleSet &pset) | QMCHamiltonian | static |
| updateSource(ParticleSet &s) | QMCHamiltonian | |
| ValueMatrix typedef | QMCHamiltonian | |
| ValueType typedef | QMCHamiltonian | |
| Walker_t typedef | QMCHamiltonian | |
| weight_sample | QMCHamiltonian | private |
| WP typedef | QMCHamiltonian | |
| ~QMCHamiltonian() | QMCHamiltonian |
1.8.14