 |
QMCPACK
|
|
QMCPACK
|
This is the complete list of members for SoaLocalizedBasisSet< COT, ORBT >, including all inherited members.
| acquireResource(ResourceCollection &collection, const RefVectorWithLeader< SoaBasisSetBase< ORBT >> &basisset_list) const override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::acquireResource(ResourceCollection &collection, const RefVectorWithLeader< SoaBasisSetBase > &bset_list) const | SoaBasisSetBase< ORBT > | inlinevirtual |
| add(int icenter, std::unique_ptr< COT > aos) | SoaLocalizedBasisSet< COT, ORBT > | |
| BaseType typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| BasisOffset | SoaLocalizedBasisSet< COT, ORBT > | |
| BasisSetSize | SoaBasisSetBase< ORBT > | |
| createResource(ResourceCollection &collection) const override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| evaluateGradSourceV(const ParticleSet &P, int iat, const ParticleSet &ions, int jion, vgl_type &vgl) override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::evaluateGradSourceV(const ParticleSet &P, int iat, const ParticleSet &ions, int jion, vgl_type &vgl)=0 | SoaBasisSetBase< ORBT > | pure virtual |
| evaluateGradSourceVGL(const ParticleSet &P, int iat, const ParticleSet &ions, int jion, vghgh_type &vghgh) override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::evaluateGradSourceVGL(const ParticleSet &P, int iat, const ParticleSet &ions, int jion, vghgh_type &vghgh)=0 | SoaBasisSetBase< ORBT > | pure virtual |
| evaluateV(const ParticleSet &P, int iat, ORBT *restrict vals) override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| evaluateVGH(const ParticleSet &P, int iat, vgh_type &vgh) override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::evaluateVGH(const ParticleSet &P, int iat, vgh_type &vgh)=0 | SoaBasisSetBase< ORBT > | pure virtual |
| evaluateVGHGH(const ParticleSet &P, int iat, vghgh_type &vghgh) override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::evaluateVGHGH(const ParticleSet &P, int iat, vghgh_type &vghgh)=0 | SoaBasisSetBase< ORBT > | pure virtual |
| evaluateVGL(const ParticleSet &P, int iat, vgl_type &vgl) override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::evaluateVGL(const ParticleSet &P, int iat, vgl_type &vgl)=0 | SoaBasisSetBase< ORBT > | pure virtual |
| extractOneSpeciesBasisRefList(const RefVectorWithLeader< SoaBasisSetBase< ORBT >> &basisset_list, int id) | SoaLocalizedBasisSet< COT, ORBT > | static |
| getBasisSetSize() | SoaBasisSetBase< ORBT > | inline |
| ions_ | SoaLocalizedBasisSet< COT, ORBT > | |
| is_S_orbital(int mo_idx, int ao_idx) | SoaBasisSetBase< ORBT > | inlinevirtual |
| LOBasisSet | SoaLocalizedBasisSet< COT, ORBT > | |
| makeClone() const override | SoaLocalizedBasisSet< COT, ORBT > | inlinevirtual |
| mw_evaluateValue(const RefVectorWithLeader< SoaBasisSetBase< ORBT >> &basis_list, const RefVectorWithLeader< ParticleSet > &P_list, int iat, OffloadMWVArray &v) override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| mw_evaluateValueVPs(const RefVectorWithLeader< SoaBasisSetBase< ORBT >> &basis_list, const RefVectorWithLeader< const VirtualParticleSet > &vp_list, OffloadMWVArray &v) override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| mw_evaluateVGL(const RefVectorWithLeader< SoaBasisSetBase< ORBT >> &basis_list, const RefVectorWithLeader< ParticleSet > &P_list, int iat, OffloadMWVGLArray &vgl) override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| mw_mem_handle_ | SoaLocalizedBasisSet< COT, ORBT > | private |
| myTableIndex | SoaLocalizedBasisSet< COT, ORBT > | |
| NumCenters | SoaLocalizedBasisSet< COT, ORBT > | |
| NumTargets | SoaLocalizedBasisSet< COT, ORBT > | |
| OffloadMWVArray typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| OffloadMWVGLArray typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| PosType typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| queryOrbitalsForSType(const std::vector< bool > &corrCenter, std::vector< bool > &is_s_orbital) const override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| RealType typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| releaseResource(ResourceCollection &collection, const RefVectorWithLeader< SoaBasisSetBase< ORBT >> &basisset_list) const override | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaBasisSetBase< ORBT >::releaseResource(ResourceCollection &collection, const RefVectorWithLeader< SoaBasisSetBase > &bset_list) const | SoaBasisSetBase< ORBT > | inlinevirtual |
| setBasisSetSize(int nbs) override | SoaLocalizedBasisSet< COT, ORBT > | virtual |
| setPBCParams(const TinyVector< int, 3 > &PBCImages, const TinyVector< double, 3 > Sup_Twist, const Vector< ValueType, OffloadPinnedAllocator< ValueType >> &phase_factor, const Array< RealType, 2, OffloadPinnedAllocator< RealType >> &pbc_displacements) | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaLocalizedBasisSet(ParticleSet &ions, ParticleSet &els) | SoaLocalizedBasisSet< COT, ORBT > | |
| SoaLocalizedBasisSet(const SoaLocalizedBasisSet &a) | SoaLocalizedBasisSet< COT, ORBT > | |
| SuperTwist | SoaLocalizedBasisSet< COT, ORBT > | |
| value_type typedef | SoaBasisSetBase< ORBT > | |
| ValueType typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| vgh_type typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| vghgh_type typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| vgl_type typedef | SoaLocalizedBasisSet< COT, ORBT > | |
| ~SoaBasisSetBase()=default | SoaBasisSetBase< ORBT > | virtual |
1.8.14