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QMCPACK
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QMCPACK
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This is the complete list of members for ParticleSet, including all inherited members.
| accept_rejectMove(Index_t iat, bool accepted, bool forward_mode=true) | ParticleSet | |
| acceptMove(Index_t iat) | ParticleSet | |
| acceptMoveForwardMode(Index_t iat) | ParticleSet | protected |
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< ParticleSet > &p_list) | ParticleSet | static |
| active_pos_ | ParticleSet | protected |
| active_ptcl_ | ParticleSet | protected |
| active_spin_val_ | ParticleSet | protected |
| activeBead | ParticleSet | |
| activeR(int iat) const | ParticleSet | inline |
| activeSpin(int iat) const | ParticleSet | inline |
| add(xmlNodePtr parent) | OhmmsElementBase | inlinevirtual |
| addProperty(const std::string &pname) | ParticleSet | inline |
| addPropertyHistory(int leng) | ParticleSet | |
| addTable(const ParticleSet &psrc, DTModes modes=DTModes::ALL_OFF) | ParticleSet | |
| applyBC(const ParticlePos &pin, ParticlePos &pout) | ParticleSet | |
| applyBC(ParticlePos &pos) | ParticleSet | |
| applyBC(const ParticlePos &pin, ParticlePos &pout, int first, int last) | ParticleSet | |
| applyMinimumImage(ParticlePos &pinout) const | ParticleSet | |
| begin_node(std::ostream &os) const | OhmmsElementBase | inlinevirtual |
| Buffer_t typedef | ParticleSet | |
| classical enum value | ParticleSet | |
| clear() | ParticleSet | inline |
| Collectables | ParticleSet | |
| Complex_t typedef | PtclOnLatticeTraits | |
| ComplexType typedef | QMCTraits | |
| computeNewPosDistTables(Index_t iat, const SingleParticlePos &newpos, bool maybe_accept=true) | ParticleSet | protected |
| convert(const ParticlePos &pin, ParticlePos &pout) | ParticleSet | |
| convert2Cart(const ParticlePos &pin, ParticlePos &pout) | ParticleSet | |
| convert2Cart(ParticlePos &pout) | ParticleSet | |
| convert2CartInBox(const ParticlePos &pint, ParticlePos &pout) | ParticleSet | |
| convert2Unit(const ParticlePos &pin, ParticlePos &pout) | ParticleSet | |
| convert2Unit(ParticlePos &pout) | ParticleSet | |
| convert2UnitInBox(const ParticlePos &pint, ParticlePos &pout) | ParticleSet | |
| coordinates_ | ParticleSet | protected |
| create(const std::vector< int > &agroup) | ParticleSet | |
| createAttributeList(ATList &AttribList) | ParticleSet | inline |
| createResource(ResourceCollection &collection) const | ParticleSet | |
| createSK() | ParticleSet | |
| current_step | ParticleSet | |
| Density_G | ParticleSet | |
| Density_r | ParticleSet | |
| DensityReducedGvecs | ParticleSet | |
| DIM enum value | QMCTraits | |
| DIM_VGL enum value | QMCTraits | |
| direction | ParticleSet | |
| distTableDescriptions | ParticleSet | protected |
| DistTables | ParticleSet | protected |
| donePbyP(bool skipSK=false) | ParticleSet | |
| end_node(std::ostream &os) const | OhmmsElementBase | inlinevirtual |
| extractCoordsRefList(const RefVectorWithLeader< ParticleSet > &p_list) | ParticleSet | static |
| extractDTRefList(const RefVectorWithLeader< ParticleSet > &p_list, int id) | ParticleSet | static |
| extractSKRefList(const RefVectorWithLeader< ParticleSet > &p_list) | ParticleSet | static |
| first(int igroup) const | ParticleSet | inline |
| FullPrecRealType typedef | QMCTraits | |
| FullPrecValueType typedef | QMCTraits | |
| G | ParticleSet | |
| get(std::ostream &os) const override | ParticleSet | virtual |
| get_group_offsets() const | ParticleSet | inline |
| get_map_storage_to_input() const | ParticleSet | inline |
| getActivePos() const | ParticleSet | inline |
| getActivePtcl() const | ParticleSet | inline |
| getActiveSpinVal() const | ParticleSet | inline |
| getCoordinates() const | ParticleSet | inline |
| getDistTable(int table_ID) const | ParticleSet | inline |
| getDistTableAA(int table_ID) const | ParticleSet | |
| getDistTableAB(int table_ID) const | ParticleSet | |
| getGroupID(int iat) const | ParticleSet | inline |
| getLattice() const | ParticleSet | inline |
| getLRBox() const | ParticleSet | inline |
| getName() const | OhmmsElementBase | inline |
| getNumDistTables() const | ParticleSet | inline |
| getPerParticleSKState() const | ParticleSet | |
| getPrimitiveLattice() const | ParticleSet | inline |
| getPropertyBase() | ParticleSet | inline |
| getPropertyBase() const | ParticleSet | inline |
| getPropertyBase(int i) | ParticleSet | inline |
| getPropertyBase(int i) const | ParticleSet | inline |
| getSimulationCell() const | ParticleSet | inline |
| getSK() const | ParticleSet | inline |
| getSpeciesSet() | ParticleSet | inline |
| getSpeciesSet() const | ParticleSet | inline |
| getTotalNum() const | ParticleSet | inline |
| getTwist() const | ParticleSet | inline |
| GradType typedef | QMCTraits | |
| group_offsets_ | ParticleSet | protected |
| GroupID | ParticleSet | |
| groups() const | ParticleSet | inline |
| groupsize(int igroup) const | ParticleSet | inline |
| hasSK() const | ParticleSet | inline |
| Index_t typedef | PtclOnLatticeTraits | |
| IndexType typedef | QMCTraits | |
| initPropertyList() | ParticleSet | |
| is_classical() const | ParticleSet | inline |
| is_quantum() const | ParticleSet | inline |
| is_spinor_ | ParticleSet | protected |
| isSameMass() const | ParticleSet | inline |
| isSpinor() const | ParticleSet | inline |
| L | ParticleSet | |
| last(int igroup) const | ParticleSet | inline |
| loadWalker(Walker_t &awalker, bool pbyp) | ParticleSet | |
| makeMove(Index_t iat, const SingleParticlePos &displ, bool maybe_accept=true) | ParticleSet | |
| makeMoveAllParticles(const Walker_t &awalker, const ParticlePos &deltaR, RealType dt) | ParticleSet | |
| makeMoveAllParticles(const Walker_t &awalker, const ParticlePos &deltaR, const std::vector< RealType > &dt) | ParticleSet | |
| makeMoveAllParticlesWithDrift(const Walker_t &awalker, const ParticlePos &drift, const ParticlePos &deltaR, RealType dt) | ParticleSet | |
| makeMoveAllParticlesWithDrift(const Walker_t &awalker, const ParticlePos &drift, const ParticlePos &deltaR, const std::vector< RealType > &dt) | ParticleSet | |
| makeMoveAndCheck(Index_t iat, const SingleParticlePos &displ) | ParticleSet | |
| makeMoveAndCheckWithSpin(Index_t iat, const SingleParticlePos &displ, const Scalar_t &sdispl) | ParticleSet | |
| makeMoveWithSpin(Index_t iat, const SingleParticlePos &displ, const Scalar_t &sdispl) | ParticleSet | |
| makeVirtualMoves(const SingleParticlePos &newpos) | ParticleSet | |
| map_storage_to_input_ | ParticleSet | protected |
| Mass | ParticleSet | |
| mw_accept_rejectMove(const RefVectorWithLeader< ParticleSet > &p_list, Index_t iat, const std::vector< bool > &isAccepted, bool forward_mode=true) | ParticleSet | static |
| mw_accept_rejectMove(const RefVectorWithLeader< ParticleSet > &p_list, Index_t iat, const std::vector< bool > &isAccepted, bool forward_mode=true) | ParticleSet | static |
| mw_accept_rejectSpinMove(const RefVectorWithLeader< ParticleSet > &p_list, Index_t iat, const std::vector< bool > &isAccepted) | ParticleSet | static |
| mw_computeNewPosDistTables(const RefVectorWithLeader< ParticleSet > &p_list, Index_t iat, const std::vector< SingleParticlePos > &new_positions, bool maybe_accept=true) | ParticleSet | protectedstatic |
| mw_donePbyP(const RefVectorWithLeader< ParticleSet > &p_list, bool skipSK=false) | ParticleSet | static |
| mw_loadWalker(const RefVectorWithLeader< ParticleSet > &p_list, const RefVector< Walker_t > &walkers, const std::vector< bool > &recompute, bool pbyp) | ParticleSet | static |
| mw_makeMove(const RefVectorWithLeader< ParticleSet > &p_list, int iat, const MCCoords< CT > &displs) | ParticleSet | static |
| mw_makeMove(const RefVectorWithLeader< ParticleSet > &p_list, int iat, const std::vector< SingleParticlePos > &displs) | ParticleSet | static |
| mw_makeSpinMove(const RefVectorWithLeader< ParticleSet > &p_list, int iat, const std::vector< Scalar_t > &sdispls) | ParticleSet | static |
| mw_saveWalker(const RefVectorWithLeader< ParticleSet > &psets, const RefVector< Walker_t > &walkers) | ParticleSet | static |
| mw_structure_factor_data_handle_ | ParticleSet | protected |
| mw_update(const RefVectorWithLeader< ParticleSet > &p_list, bool skipSK=false) | ParticleSet | static |
| my_species_ | ParticleSet | protected |
| myDistTableMap | ParticleSet | protected |
| myIOMode | OhmmsElementBase | protected |
| myName | OhmmsElementBase | protected |
| myTimers | ParticleSet | protected |
| myTwist | ParticleSet | protected |
| no_quantum_domain enum value | ParticleSet | |
| OhmmsElementBase(const char *aname="none") | OhmmsElementBase | inline |
| parentName() const | ParticleSet | inline |
| ParentName | ParticleSet | protected |
| ParticleGradient typedef | PtclOnLatticeTraits | |
| ParticleIndex typedef | PtclOnLatticeTraits | |
| ParticleLaplacian typedef | PtclOnLatticeTraits | |
| ParticleLayout typedef | PtclOnLatticeTraits | |
| ParticlePos typedef | PtclOnLatticeTraits | |
| ParticleScalar typedef | PtclOnLatticeTraits | |
| ParticleSet(const SimulationCell &simulation_cell, const DynamicCoordinateKind kind=DynamicCoordinateKind::DC_POS) | ParticleSet | |
| ParticleSet(const ParticleSet &p) | ParticleSet | |
| ParticleTensor typedef | PtclOnLatticeTraits | |
| PHindex | ParticleSet | |
| PosType typedef | QMCTraits | |
| print(std::ostream &os, const size_t maxParticlesToPrint=0) const | ParticleSet | |
| Properties | ParticleSet | |
| PropertyContainer_t typedef | ParticleSet | |
| PropertyHistory | ParticleSet | |
| PropertyList | ParticleSet | |
| PropertySetType typedef | QMCTraits | |
| PtclGrpIndexes typedef | QMCTraits | |
| put(std::istream &) override | ParticleSet | virtual |
| put(xmlNodePtr cur) override | ParticleSet | virtual |
| OhmmsElementBase::put(const std::string &s) | OhmmsElementBase | inline |
| QTBase typedef | QMCTraits | |
| qmcplusplus::QTFull typedef | QMCTraits | |
| qmcplusplus::PtclOnLatticeTraits::QTFull typedef | PtclOnLatticeTraits | |
| quantum enum value | ParticleSet | |
| quantum_domain | ParticleSet | |
| quantum_domains enum name | ParticleSet | |
| quantumDomainValid(quantum_domains qdomain) const | ParticleSet | inline |
| quantumDomainValid() const | ParticleSet | inline |
| R | ParticleSet | |
| randomizeFromSource(ParticleSet &src) | ParticleSet | |
| RealType typedef | QMCTraits | |
| rejectMove(Index_t iat) | ParticleSet | |
| rejectMoveForwardMode(Index_t iat) | ParticleSet | protected |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< ParticleSet > &p_list) | ParticleSet | static |
| reset() override | ParticleSet | virtual |
| resetCollectables() | ParticleSet | inline |
| resetGroups() | ParticleSet | |
| resize(size_t numPtcl) | ParticleSet | inlineprotected |
| same_mass_ | ParticleSet | protected |
| saveWalker(Walker_t &awalker) | ParticleSet | |
| Scalar_t typedef | PtclOnLatticeTraits | |
| set_quantum() | ParticleSet | inline |
| setIOMode(int imode) | OhmmsElementBase | inline |
| setMapStorageToInput(const std::vector< int > &mapping) | ParticleSet | inline |
| setName(const std::string &aname) | ParticleSet | inline |
| setQuantumDomain(quantum_domains qdomain) | ParticleSet | |
| setSpinor(bool is_spinor) | ParticleSet | inline |
| setTwist(const SingleParticlePos &t) | ParticleSet | inline |
| simulation_cell_ | ParticleSet | protected |
| SingleParticleIndex typedef | PtclOnLatticeTraits | |
| SingleParticlePos typedef | PtclOnLatticeTraits | |
| SingleParticleValue typedef | PtclOnLatticeTraits | |
| species_from_index(int i) | ParticleSet | inline |
| spins | ParticleSet | |
| structure_factor_ | ParticleSet | protected |
| Tensor_t typedef | PtclOnLatticeTraits | |
| TensorType typedef | QMCTraits | |
| TotalNum | ParticleSet | protected |
| turnOnPerParticleSK() | ParticleSet | |
| update(bool skipSK=false) | ParticleSet | |
| useLIBXML enum value | OhmmsElementBase | |
| useLIBXMLPP enum value | OhmmsElementBase | |
| usePLAIN enum value | OhmmsElementBase | |
| ValueType typedef | QMCTraits | |
| VHXC_G | ParticleSet | |
| VHXC_r | ParticleSet | |
| VHXCReducedGvecs | ParticleSet | |
| Walker_t typedef | ParticleSet | |
| Z | ParticleSet | |
| ~OhmmsElementBase() | OhmmsElementBase | inlinevirtual |
| ~ParticleSet() override | ParticleSet |
1.8.14