QMCPACK
LCAOrbitalBuilder Member List

This is the complete list of members for LCAOrbitalBuilder, including all inherited members.

basisset_map_LCAOrbitalBuilderprotected
BasisSet_t typedefLCAOrbitalBuilder
BasissetMap typedefLCAOrbitalBuilder
ClassNameMPIObjectBaseprotected
clear_states(int index=0)SPOSetBuilderinline
ComplexType typedefQMCTraits
createBasisSet(xmlNodePtr cur)LCAOrbitalBuilderprotected
createBasisSetH5()LCAOrbitalBuilderprotected
createRotatedSPOSet(xmlNodePtr cur)SPOSetBuilder
createSPOSet(xmlNodePtr cur)SPOSetBuilder
createSPOSet(xmlNodePtr cur, SPOSetInputInfo &input_info)SPOSetBuilderprotectedvirtual
createSPOSetFromXML(xmlNodePtr cur) overrideLCAOrbitalBuildervirtual
cuspCorrLCAOrbitalBuilderprotected
determineRadialOrbType(xmlNodePtr cur) constLCAOrbitalBuilderprivate
DIM enum valueQMCTraits
DIM_VGL enum valueQMCTraits
doCuspCorrectionLCAOrbitalBuilderprotected
energies_t typedefSPOSetBuilder
EvalPeriodicImagePhaseFactors(PosType SuperTwist, Vector< RealType, OffloadPinnedAllocator< RealType >> &LocPeriodicImagePhaseFactors, Array< RealType, 2, OffloadPinnedAllocator< RealType >> &LocPeriodicImageDisplacements)LCAOrbitalBuilderprotected
EvalPeriodicImagePhaseFactors(PosType SuperTwist, Vector< std::complex< RealType >, OffloadPinnedAllocator< std::complex< RealType >>> &LocPeriodicImagePhaseFactors, Array< RealType, 2, OffloadPinnedAllocator< RealType >> &LocPeriodicImageDisplacements)LCAOrbitalBuilderprotected
FullPrecRealType typedefQMCTraits
FullPrecValueType typedefQMCTraits
getBasissetMap() constLCAOrbitalBuilderinline
getCommRef() constMPIObjectBaseinline
getCommunicator() constMPIObjectBaseinline
getGroupID() constMPIObjectBaseinline
getMPI() constMPIObjectBaseinline
getName() constMPIObjectBaseinline
getTypeName() constSPOSetBuilderinline
GradType typedefQMCTraits
h5_pathLCAOrbitalBuilderprotected
IndexType typedefQMCTraits
indices_t typedefSPOSetBuilder
is_manager() constMPIObjectBaseinline
LatticeLCAOrbitalBuilderprotected
LCAOrbitalBuilder(ParticleSet &els, ParticleSet &ions, Communicate *comm, xmlNodePtr cur)LCAOrbitalBuilder
legacySPOSetBuilder
loadBasisSetFromH5(xmlNodePtr parent)LCAOrbitalBuilderprivate
loadBasisSetFromXML(xmlNodePtr cur, xmlNodePtr parent)LCAOrbitalBuilderprivate
LoadFullCoefsFromH5(hdf_archive &hin, int setVal, PosType &SuperTwist, Matrix< std::complex< RealType >> &Ctemp, bool MultiDet)LCAOrbitalBuilderprotected
LoadFullCoefsFromH5(hdf_archive &hin, int setVal, PosType &SuperTwist, Matrix< RealType > &Creal, bool Multidet)LCAOrbitalBuilderprotected
loadMO(LCAOrbitalSet &spo, xmlNodePtr cur)LCAOrbitalBuilderprotected
modify_states(int index=0)SPOSetBuilderinline
mpi_comm_type typedefMPIObjectBase
MPIObjectBase(Communicate *c)MPIObjectBase
myCommMPIObjectBaseprotected
myNameMPIObjectBaseprotected
OccLCAOrbitalBuilderprotected
PBCImagesLCAOrbitalBuilderprotected
PeriodicImageDisplacementsLCAOrbitalBuilderprotected
PeriodicImagePhaseFactorsLCAOrbitalBuilderprotected
PosType typedefQMCTraits
PropertySetType typedefQMCTraits
PtclGrpIndexes typedefQMCTraits
putFromH5(LCAOrbitalSet &spo, xmlNodePtr coeff_ptr)LCAOrbitalBuilderprotected
putFromXML(LCAOrbitalSet &spo, xmlNodePtr coeff_ptr)LCAOrbitalBuilderprotected
putOccupation(LCAOrbitalSet &spo, xmlNodePtr occ_ptr)LCAOrbitalBuilderprotected
putPBCFromH5(LCAOrbitalSet &spo, xmlNodePtr coeff_ptr)LCAOrbitalBuilderprotected
QTBase typedefQMCTraits
QTFull typedefQMCTraits
rank() constMPIObjectBaseinline
readRealMatrixFromH5(hdf_archive &hin, const std::string &setname, Matrix< LCAOrbitalBuilder::RealType > &Creal) constLCAOrbitalBuilderprotected
RealType typedefQMCTraits
reserve_states(int nsets=1)SPOSetBuilder
setName(const std::string &aname)MPIObjectBaseinline
sourcePtclLCAOrbitalBuilderprotected
SPOSetBuilder(const std::string &type_name, Communicate *comm)SPOSetBuilder
statesSPOSetBuilder
SuperTwistLCAOrbitalBuilderprotected
targetPtclLCAOrbitalBuilderprotected
TensorType typedefQMCTraits
type_name_SPOSetBuilderprotected
useGPULCAOrbitalBuilderprotected
ValueType typedefQMCTraits
~LCAOrbitalBuilder() overrideLCAOrbitalBuilder
~SPOSetBuilder()SPOSetBuilderinlinevirtual