QMCPACK
HybridRepReal< SPLINEBASE > Member List

This is the complete list of members for HybridRepReal< SPLINEBASE >, including all inherited members.

applyRotation(const ValueMatrix &rot_mat, bool use_stored_copy) overrideHybridRepReal< SPLINEBASE >inline
HybridRepCenterOrbitals< SPLINEBASE::DataType >::applyRotation(const VM &rot_mat, bool use_stored_copy)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
bcast_tables(Communicate *comm)HybridRepReal< SPLINEBASE >inline
BsplineReaderHybridRepReal< SPLINEBASE >friend
DHybridRepCenterOrbitals< SPLINEBASE::DataType >privatestatic
d2psi_AOHybridRepReal< SPLINEBASE >private
DataType typedefHybridRepReal< SPLINEBASE >
dpsi_AOHybridRepReal< SPLINEBASE >private
evaluate_notranspose(const ParticleSet &P, int first, int last, ValueMatrix &logdet, GradMatrix &dlogdet, ValueMatrix &d2logdet) finalHybridRepReal< SPLINEBASE >inline
evaluate_v(const ParticleSet &P, const int iat, VV &myV, LocationSmoothingInfo &info)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
evaluate_vgh(const ParticleSet &P, const int iat, VV &myV, GV &myG, HT &myH, LocationSmoothingInfo &info)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
evaluate_vgl(const ParticleSet &P, const int iat, VV &myV, GV &myG, VV &myL, LocationSmoothingInfo &info)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
evaluateDetRatios(const VirtualParticleSet &VP, ValueVector &psi, const ValueVector &psiinv, std::vector< ValueType > &ratios) overrideHybridRepReal< SPLINEBASE >inline
evaluateValue(const ParticleSet &P, const int iat, ValueVector &psi) overrideHybridRepReal< SPLINEBASE >inline
evaluateValuesC2X(const VirtualParticleSet &VP, VM &multi_myV, LocationSmoothingInfo &info)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
evaluateValuesR2R(const VirtualParticleSet &VP, const Cell &PrimLattice, TinyVector< int, D > &HalfG, VM &multi_myV, SV &bc_signs, LocationSmoothingInfo &info)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
evaluateVGH(const ParticleSet &P, const int iat, ValueVector &psi, GradVector &dpsi, HessVector &grad_grad_psi) overrideHybridRepReal< SPLINEBASE >inline
evaluateVGHGH(const ParticleSet &P, const int iat, ValueVector &psi, GradVector &dpsi, HessVector &grad_grad_psi, GGGVector &grad_grad_grad_psi) overrideHybridRepReal< SPLINEBASE >inline
evaluateVGL(const ParticleSet &P, const int iat, ValueVector &psi, GradVector &dpsi, ValueVector &d2psi) overrideHybridRepReal< SPLINEBASE >inline
flush_zero()HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
gather_atomic_tables(Communicate *comm, std::vector< int > &offset)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
gather_tables(Communicate *comm)HybridRepReal< SPLINEBASE >inline
get_bc_sign(const PointType &r, const PointType &r_image, const Cell &PrimLattice, TinyVector< int, D > &HalfG) constHybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
getClassName() const finalHybridRepReal< SPLINEBASE >inline
getKeyword() const finalHybridRepReal< SPLINEBASE >inline
HYBRIDBASE typedefHybridRepReal< SPLINEBASE >
HybridRepCenterOrbitals()HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
HybridRepReal(const std::string &my_name)HybridRepReal< SPLINEBASE >inline
HybridRepSetReader classHybridRepReal< SPLINEBASE >friend
infoHybridRepReal< SPLINEBASE >private
interpolate_buffer_v(VV &psi, const VV &psi_AO, const RealType f) constHybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
interpolate_buffer_vgl(VV &psi, GV &dpsi, VV &d2psi, const VV &psi_AO, const GV &dpsi_AO, const VV &d2psi_AO, const LocationSmoothingInfo &info) constHybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
is_VP_batching_safe(const VirtualParticleSet &VP) constHybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
isOMPoffload() const finalHybridRepReal< SPLINEBASE >inline
isRotationSupported() const overrideHybridRepReal< SPLINEBASE >inline
makeClone() const overrideHybridRepReal< SPLINEBASE >inline
multi_myVHybridRepReal< SPLINEBASE >private
mw_evaluateDetRatios(const RefVectorWithLeader< SPOSet > &spo_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, const RefVector< ValueVector > &psi_list, const std::vector< const ValueType *> &invRow_ptr_list, std::vector< std::vector< ValueType >> &ratios_list) const finalHybridRepReal< SPLINEBASE >inline
mw_evaluateVGL(const RefVectorWithLeader< SPOSet > &sa_list, const RefVectorWithLeader< ParticleSet > &P_list, int iat, const RefVector< ValueVector > &psi_v_list, const RefVector< GradVector > &dpsi_v_list, const RefVector< ValueVector > &d2psi_v_list) const finalHybridRepReal< SPLINEBASE >inline
mw_evaluateVGLandDetRatioGrads(const RefVectorWithLeader< SPOSet > &spo_list, const RefVectorWithLeader< ParticleSet > &P_list, int iat, const std::vector< const ValueType *> &invRow_ptr_list, OffloadMWVGLArray &phi_vgl_v, std::vector< ValueType > &ratios, std::vector< GradType > &grads) const finalHybridRepReal< SPLINEBASE >inline
PointType typedefHybridRepReal< SPLINEBASE >
PosType typedefHybridRepCenterOrbitals< SPLINEBASE::DataType >private
psi_AOHybridRepReal< SPLINEBASE >private
read_splines(hdf_archive &h5f)HybridRepReal< SPLINEBASE >inline
RealType typedefHybridRepReal< SPLINEBASE >
Region enum nameHybridRepReal< SPLINEBASE >private
resizeStorage(size_t Nb)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
set_info(const ParticleSet &ions, ParticleSet &els, const std::vector< int > &mapping)HybridRepCenterOrbitals< SPLINEBASE::DataType >inlineprivate
SingleSplineType typedefHybridRepReal< SPLINEBASE >
SplineBase typedefHybridRepReal< SPLINEBASE >
SplineSetReader classHybridRepReal< SPLINEBASE >friend
ST typedefHybridRepReal< SPLINEBASE >
storeParamsBeforeRotation() overrideHybridRepReal< SPLINEBASE >inline
write_splines(hdf_archive &h5f)HybridRepReal< SPLINEBASE >inline