MCWalkerConfiguration Member List

This is the complete list of members for MCWalkerConfiguration, 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()	WalkerConfigurations	inline
begin() const	WalkerConfigurations	inline
begin_node(std::ostream &os) const	OhmmsElementBase	inlinevirtual
Buffer_t typedef	ParticleSet
classical enum value	ParticleSet
clear()	MCWalkerConfiguration	inline
qmcplusplus::ParticleSet::clear()	ParticleSet	inline
qmcplusplus::WalkerConfigurations::clear()	WalkerConfigurations	inline
clearEnsemble()	MCWalkerConfiguration
Collectables	ParticleSet
Complex_t typedef	PtclOnLatticeTraits
ComplexType typedef	QMCTraits
computeNewPosDistTables(Index_t iat, const SingleParticlePos &newpos, bool maybe_accept=true)	ParticleSet	protected
const_iterator typedef	MCWalkerConfiguration
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
copyWalkers(iterator first, iterator last, iterator start)	WalkerConfigurations
create(const std::vector< int > &agroup)	ParticleSet
createAttributeList(ATList &AttribList)	ParticleSet	inline
createResource(ResourceCollection &collection) const	ParticleSet
createSK()	ParticleSet
createWalkers(int numWalkers)	MCWalkerConfiguration
qmcplusplus::WalkerConfigurations::createWalkers(int numWalkers, size_t numPtcls)	WalkerConfigurations
qmcplusplus::WalkerConfigurations::createWalkers(iterator first, iterator last)	WalkerConfigurations
current_step	ParticleSet
Density_G	ParticleSet
Density_r	ParticleSet
DensityReducedGvecs	ParticleSet
destroyWalkers(iterator first, iterator last)	WalkerConfigurations
destroyWalkers(int nw)	WalkerConfigurations
DIM enum value	QMCTraits
DIM_VGL enum value	QMCTraits
direction	ParticleSet
distTableDescriptions	ParticleSet	protected
DistTables	ParticleSet	protected
donePbyP(bool skipSK=false)	ParticleSet
dumpEnsemble(std::vector< MCWalkerConfiguration *> &others, HDFWalkerOutput &out, int np, int nBlock)	MCWalkerConfiguration	static
end()	WalkerConfigurations	inline
end() const	WalkerConfigurations	inline
end_node(std::ostream &os) const	OhmmsElementBase	inlinevirtual
EnsembleProperty	WalkerConfigurations
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
qmcplusplus::FullPrecRealType typedef	QMCTraits
qmcplusplus::WalkerConfigurations::FullPrecRealType typedef	WalkerConfigurations
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
getActiveWalkers() const	WalkerConfigurations	inline
getCoordinates() const	ParticleSet	inline
getDistTable(int table_ID) const	ParticleSet	inline
getDistTableAA(int table_ID) const	ParticleSet
getDistTableAB(int table_ID) const	ParticleSet
getGlobalNumWalkers() const	WalkerConfigurations	inline
getGroupID(int iat) const	ParticleSet	inline
getLattice() const	ParticleSet	inline
getLocalEnergy() const	MCWalkerConfiguration	inline
getLRBox() const	ParticleSet	inline
getMaxSamples() const	MCWalkerConfiguration
getName() const	OhmmsElementBase	inline
getNumDistTables() const	ParticleSet	inline
getParticleNum() const	MCWalkerConfiguration	inline
getPerParticleSKState() const	ParticleSet
getPolymer()	MCWalkerConfiguration	inline
getPrimitiveLattice() const	ParticleSet	inline
getPropertyBase()	ParticleSet	inline
getPropertyBase() const	ParticleSet	inline
getPropertyBase(int i)	ParticleSet	inline
getPropertyBase(int i) const	ParticleSet	inline
getSampleStack() const	MCWalkerConfiguration	inline
getSampleStack()	MCWalkerConfiguration	inline
getSimulationCell() const	ParticleSet	inline
getSK() const	ParticleSet	inline
getSpeciesSet()	ParticleSet	inline
getSpeciesSet() const	ParticleSet	inline
getTotalNum() const	ParticleSet	inline
getTwist() const	ParticleSet	inline
getWalkerOffsets() const	WalkerConfigurations	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
insert(iterator it, INPUT_ITER first, INPUT_ITER last)	WalkerConfigurations	inline
is_classical() const	ParticleSet	inline
is_quantum() const	ParticleSet	inline
is_spinor_	ParticleSet	protected
isSameMass() const	ParticleSet	inline
isSpinor() const	ParticleSet	inline
iterator typedef	MCWalkerConfiguration
L	ParticleSet
last(int igroup) const	ParticleSet	inline
loadEnsemble()	MCWalkerConfiguration
loadEnsemble(std::vector< MCWalkerConfiguration *> &others, bool doclean=true)	MCWalkerConfiguration
loadSample(ParticleSet &pset, size_t iw) const	MCWalkerConfiguration
loadWalker(Walker_t &awalker, bool pbyp)	ParticleSet
LocalEnergy	MCWalkerConfiguration	protected
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
MCPopulation class	MCWalkerConfiguration	friend
MCWalkerConfiguration(const SimulationCell &simulation_cell, const DynamicCoordinateKind kind=DynamicCoordinateKind::DC_POS)	MCWalkerConfiguration
MCWalkerConfiguration(const MCWalkerConfiguration &mcw)	MCWalkerConfiguration
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
numSamples() const	MCWalkerConfiguration	inline
OhmmsElementBase(const char *aname="none")	OhmmsElementBase	inline
operator=(const WalkerConfigurations &)=delete	WalkerConfigurations
operator=(WalkerConfigurations &&)=default	WalkerConfigurations
operator[](int i)	WalkerConfigurations	inline
operator[](int i) const	WalkerConfigurations	inline
ParentName	ParticleSet	protected
parentName() const	ParticleSet	inline
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
Polymer	MCWalkerConfiguration	private
pop_back()	WalkerConfigurations	inline
PosType typedef	QMCTraits
print(std::ostream &os, const size_t maxParticlesToPrint=0) const	ParticleSet
Properties	ParticleSet
PropertyContainer_t typedef	MCWalkerConfiguration
PropertyHistory	ParticleSet
PropertyList	ParticleSet
PropertySetType typedef	QMCTraits
PtclGrpIndexes typedef	QMCTraits
push_back(std::unique_ptr< Walker_t > awalker)	WalkerConfigurations	inline
put(std::istream &) override	ParticleSet	virtual
put(xmlNodePtr cur) override	ParticleSet	virtual
OhmmsElementBase::put(const std::string &s)	OhmmsElementBase	inline
putConfigurations(Walker_t::RealType *target, QMCTraits::FullPrecRealType *weights) const	WalkerConfigurations
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
ReadyForPbyP	MCWalkerConfiguration	protected
RealType typedef	QMCTraits
rejectMove(Index_t iat)	ParticleSet
rejectMoveForwardMode(Index_t iat)	ParticleSet	protected
releaseResource(ResourceCollection &collection, const RefVectorWithLeader< ParticleSet > &p_list)	ParticleSet	static
reptile	MCWalkerConfiguration
ReptileList	MCWalkerConfiguration
ReptileList_t typedef	MCWalkerConfiguration
qmcplusplus::reset() override	ParticleSet	virtual
qmcplusplus::WalkerConfigurations::reset()	WalkerConfigurations
resetCollectables()	ParticleSet	inline
resetGroups()	ParticleSet
resetWalkerProperty(int ncopy=1)	MCWalkerConfiguration
resize(int numWalkers, int numPtcls)	MCWalkerConfiguration
qmcplusplus::ParticleSet::resize(size_t numPtcl)	ParticleSet	inlineprotected
qmcplusplus::WalkerConfigurations::resize(int numWalkers, size_t numPtcls)	WalkerConfigurations
resizeWalkerHistories()	MCWalkerConfiguration
same_mass_	ParticleSet	protected
sample(iterator it, RealType tauinv)	MCWalkerConfiguration
samples	MCWalkerConfiguration	private
saveEnsemble()	MCWalkerConfiguration
saveEnsemble(iterator first, iterator last)	MCWalkerConfiguration
saveWalker(Walker_t &awalker)	ParticleSet
Scalar_t typedef	PtclOnLatticeTraits
set_quantum()	ParticleSet	inline
setIOMode(int imode)	OhmmsElementBase	inline
setLocalEnergy(RealType e)	MCWalkerConfiguration	inline
setMapStorageToInput(const std::vector< int > &mapping)	ParticleSet	inline
setName(const std::string &aname)	ParticleSet	inline
setNumSamples(int n)	MCWalkerConfiguration
setPolymer(MultiChain *chain)	MCWalkerConfiguration	inline
setQuantumDomain(quantum_domains qdomain)	ParticleSet
setSpinor(bool is_spinor)	ParticleSet	inline
setTwist(const SingleParticlePos &t)	ParticleSet	inline
setWalkerOffsets(const std::vector< int > &o)	WalkerConfigurations	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
Update_All enum value	MCWalkerConfiguration
Update_Particle enum value	MCWalkerConfiguration
Update_Walker enum value	MCWalkerConfiguration
UpdateMode	MCWalkerConfiguration	protected
updatePbyP() const	MCWalkerConfiguration	inline
useLIBXML enum value	OhmmsElementBase
useLIBXMLPP enum value	OhmmsElementBase
usePLAIN enum value	OhmmsElementBase
ValueType typedef	QMCTraits
VHXC_G	ParticleSet
VHXC_r	ParticleSet
VHXCReducedGvecs	ParticleSet
walker_list_	WalkerConfigurations	protected
walker_list__t typedef	WalkerConfigurations
Walker_t typedef	MCWalkerConfiguration
WalkerConfigurations()	WalkerConfigurations
WalkerConfigurations(const WalkerConfigurations &)=delete	WalkerConfigurations
WalkerConfigurations(WalkerConfigurations &&)=default	WalkerConfigurations
WalkerList_t typedef	MCWalkerConfiguration
Z	ParticleSet
~MCWalkerConfiguration()	MCWalkerConfiguration
~OhmmsElementBase()	OhmmsElementBase	inlinevirtual
~ParticleSet() override	ParticleSet
~WalkerConfigurations()	WalkerConfigurations