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QMCPACK
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This is the complete list of members for LCAOrbitalBuilder, including all inherited members.
basisset_map_ | LCAOrbitalBuilder | protected |
BasisSet_t typedef | LCAOrbitalBuilder | |
BasissetMap typedef | LCAOrbitalBuilder | |
ClassName | MPIObjectBase | protected |
clear_states(int index=0) | SPOSetBuilder | inline |
ComplexType typedef | QMCTraits | |
createBasisSet(xmlNodePtr cur) | LCAOrbitalBuilder | protected |
createBasisSetH5() | LCAOrbitalBuilder | protected |
createRotatedSPOSet(xmlNodePtr cur) | SPOSetBuilder | |
createSPOSet(xmlNodePtr cur) | SPOSetBuilder | |
createSPOSet(xmlNodePtr cur, SPOSetInputInfo &input_info) | SPOSetBuilder | protectedvirtual |
createSPOSetFromXML(xmlNodePtr cur) override | LCAOrbitalBuilder | virtual |
cuspCorr | LCAOrbitalBuilder | protected |
determineRadialOrbType(xmlNodePtr cur) const | LCAOrbitalBuilder | private |
DIM enum value | QMCTraits | |
DIM_VGL enum value | QMCTraits | |
doCuspCorrection | LCAOrbitalBuilder | protected |
energies_t typedef | SPOSetBuilder | |
EvalPeriodicImagePhaseFactors(PosType SuperTwist, Vector< RealType, OffloadPinnedAllocator< RealType >> &LocPeriodicImagePhaseFactors, Array< RealType, 2, OffloadPinnedAllocator< RealType >> &LocPeriodicImageDisplacements) | LCAOrbitalBuilder | protected |
EvalPeriodicImagePhaseFactors(PosType SuperTwist, Vector< std::complex< RealType >, OffloadPinnedAllocator< std::complex< RealType >>> &LocPeriodicImagePhaseFactors, Array< RealType, 2, OffloadPinnedAllocator< RealType >> &LocPeriodicImageDisplacements) | LCAOrbitalBuilder | protected |
FullPrecRealType typedef | QMCTraits | |
FullPrecValueType typedef | QMCTraits | |
getBasissetMap() const | LCAOrbitalBuilder | inline |
getCommRef() const | MPIObjectBase | inline |
getCommunicator() const | MPIObjectBase | inline |
getGroupID() const | MPIObjectBase | inline |
getMPI() const | MPIObjectBase | inline |
getName() const | MPIObjectBase | inline |
getTypeName() const | SPOSetBuilder | inline |
GradType typedef | QMCTraits | |
h5_path | LCAOrbitalBuilder | protected |
IndexType typedef | QMCTraits | |
indices_t typedef | SPOSetBuilder | |
is_manager() const | MPIObjectBase | inline |
Lattice | LCAOrbitalBuilder | protected |
LCAOrbitalBuilder(ParticleSet &els, ParticleSet &ions, Communicate *comm, xmlNodePtr cur) | LCAOrbitalBuilder | |
legacy | SPOSetBuilder | |
loadBasisSetFromH5(xmlNodePtr parent) | LCAOrbitalBuilder | private |
loadBasisSetFromXML(xmlNodePtr cur, xmlNodePtr parent) | LCAOrbitalBuilder | private |
LoadFullCoefsFromH5(hdf_archive &hin, int setVal, PosType &SuperTwist, Matrix< std::complex< RealType >> &Ctemp, bool MultiDet) | LCAOrbitalBuilder | protected |
LoadFullCoefsFromH5(hdf_archive &hin, int setVal, PosType &SuperTwist, Matrix< RealType > &Creal, bool Multidet) | LCAOrbitalBuilder | protected |
loadMO(LCAOrbitalSet &spo, xmlNodePtr cur) | LCAOrbitalBuilder | protected |
modify_states(int index=0) | SPOSetBuilder | inline |
mpi_comm_type typedef | MPIObjectBase | |
MPIObjectBase(Communicate *c) | MPIObjectBase | |
myComm | MPIObjectBase | protected |
myName | MPIObjectBase | protected |
Occ | LCAOrbitalBuilder | protected |
PBCImages | LCAOrbitalBuilder | protected |
PeriodicImageDisplacements | LCAOrbitalBuilder | protected |
PeriodicImagePhaseFactors | LCAOrbitalBuilder | protected |
PosType typedef | QMCTraits | |
PropertySetType typedef | QMCTraits | |
PtclGrpIndexes typedef | QMCTraits | |
putFromH5(LCAOrbitalSet &spo, xmlNodePtr coeff_ptr) | LCAOrbitalBuilder | protected |
putFromXML(LCAOrbitalSet &spo, xmlNodePtr coeff_ptr) | LCAOrbitalBuilder | protected |
putOccupation(LCAOrbitalSet &spo, xmlNodePtr occ_ptr) | LCAOrbitalBuilder | protected |
putPBCFromH5(LCAOrbitalSet &spo, xmlNodePtr coeff_ptr) | LCAOrbitalBuilder | protected |
QTBase typedef | QMCTraits | |
QTFull typedef | QMCTraits | |
rank() const | MPIObjectBase | inline |
readRealMatrixFromH5(hdf_archive &hin, const std::string &setname, Matrix< LCAOrbitalBuilder::RealType > &Creal) const | LCAOrbitalBuilder | protected |
RealType typedef | QMCTraits | |
reserve_states(int nsets=1) | SPOSetBuilder | |
setName(const std::string &aname) | MPIObjectBase | inline |
sourcePtcl | LCAOrbitalBuilder | protected |
SPOSetBuilder(const std::string &type_name, Communicate *comm) | SPOSetBuilder | |
states | SPOSetBuilder | |
SuperTwist | LCAOrbitalBuilder | protected |
targetPtcl | LCAOrbitalBuilder | protected |
TensorType typedef | QMCTraits | |
type_name_ | SPOSetBuilder | protected |
useGPU | LCAOrbitalBuilder | protected |
ValueType typedef | QMCTraits | |
~LCAOrbitalBuilder() override | LCAOrbitalBuilder | |
~SPOSetBuilder() | SPOSetBuilder | inlinevirtual |