sisi4s
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#include <SimilarityTransformedHamiltonian.hpp>
Classes | |
struct | StructureFactor |
struct | StructureFactorSettings |
Public Types | |
enum | Dressing { CCSD , CCSDT , NONE , RPA , GENERAL } |
typedef SimilarityTransformedHamiltonian | STH |
Public Attributes | |
Tensor< F > * | Tai = nullptr |
Tensor< F > * | Tabij = nullptr |
Tensor< F > * | Tabcijk = nullptr |
Tensor< F > * | Tabcdijkl = nullptr |
Tensor< F > * | Fij = nullptr |
Tensor< F > * | Fab = nullptr |
Tensor< F > * | Fia = nullptr |
Tensor< F > * | Vabcd = nullptr |
Tensor< F > * | Viajb = nullptr |
Tensor< F > * | Vijab = nullptr |
Tensor< F > * | Vijkl = nullptr |
Tensor< F > * | Vijka = nullptr |
Tensor< F > * | Viabc = nullptr |
Tensor< F > * | Viajk = nullptr |
Tensor< F > * | Vabic = nullptr |
Tensor< F > * | Vaibc = nullptr |
Tensor< F > * | Vaibj = nullptr |
Tensor< F > * | Viabj = nullptr |
Tensor< F > * | Vijak = nullptr |
Tensor< F > * | Vaijb = nullptr |
Tensor< F > * | Vabci = nullptr |
Tensor< F > * | Vabij = nullptr |
Tensor< F > * | VVaijb = nullptr |
Tensor< F > * | VViabc = nullptr |
Tensor< F > * | VVijka = nullptr |
Tensor< F > * | VVijab = nullptr |
Tensor< sisi4s::complex > * | GammaGqr = nullptr |
bool | _with_right_apply_intermediates = false |
bool | _withStantonIntermediatesUCCSD = false |
bool | _withRingCCSDT = false |
bool | _withCISD = false |
bool | _withCIS = false |
typedef SimilarityTransformedHamiltonian sisi4s::SimilarityTransformedHamiltonian< F >::STH |
enum sisi4s::SimilarityTransformedHamiltonian::Dressing |
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std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getAB |
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std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getABCD |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getABCI |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getABCIJK |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getABIJ |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getABIJ_RPA |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getAI |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getAI_RPA |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getAIBC |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIA |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIABJ |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIAJK |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIJ |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIJAB |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIJKA |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getIJKL |
std::shared_ptr< Tensor< F > > SimilarityTransformedHamiltonian::getTauABIJ |
SDFockVector< F > sisi4s::SimilarityTransformedHamiltonian< F >::leftApply | ( | SDFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::leftApply_hirata | ( | SDFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::leftApplyIntermediates | ( | SDFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply | ( | SDFockVector< F > & | v | ) |
SDTFockVector< F > SimilarityTransformedHamiltonian::right_apply | ( | SDTFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_CCSD_EA | ( | SDFockVector< F > & | R | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_CCSD_IP | ( | SDFockVector< F > & | R | ) |
FockVector< F > SimilarityTransformedHamiltonian::right_apply_CISD | ( | FockVector< F > & | R | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_hirata | ( | SDFockVector< F > & | v | ) |
SDTFockVector< F > SimilarityTransformedHamiltonian::right_apply_hirata | ( | SDTFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_hirata_CCSD_EA | ( | SDFockVector< F > & | R | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_hirata_CCSD_IP | ( | SDFockVector< F > & | R | ) |
SFockVector< F > SimilarityTransformedHamiltonian::right_apply_hirata_RPA | ( | SFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_Intermediates | ( | SDFockVector< F > & | v | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_Intermediates_CCSD_EA | ( | SDFockVector< F > & | R | ) |
SDFockVector< F > SimilarityTransformedHamiltonian::right_apply_Intermediates_CCSD_IP | ( | SDFockVector< F > & | R | ) |
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SimilarityTransformedHamiltonian< F >::StructureFactor SimilarityTransformedHamiltonian::structureFactor | ( | SDFockVector< F > & | t, |
const StructureFactorSettings & | s = { .onlySingles = false, .onlyDoubles = false, .hartreeInOneBody = false, .fockInOneBody = false} |
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bool sisi4s::SimilarityTransformedHamiltonian< F >::_with_right_apply_intermediates = false |
bool sisi4s::SimilarityTransformedHamiltonian< F >::_withCIS = false |
bool sisi4s::SimilarityTransformedHamiltonian< F >::_withCISD = false |
bool sisi4s::SimilarityTransformedHamiltonian< F >::_withRingCCSDT = false |
bool sisi4s::SimilarityTransformedHamiltonian< F >::_withStantonIntermediatesUCCSD = false |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Fab = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Fia = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Fij = nullptr |
Tensor<sisi4s::complex>* sisi4s::SimilarityTransformedHamiltonian< F >::GammaGqr = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Tabcdijkl = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Tabcijk = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Tabij = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Tai = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vabcd = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vabci = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vabic = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vabij = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vaibc = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vaibj = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vaijb = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Viabc = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Viabj = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Viajb = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Viajk = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vijab = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vijak = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vijka = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::Vijkl = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::VVaijb = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::VViabc = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::VVijab = nullptr |
Tensor<F>* sisi4s::SimilarityTransformedHamiltonian< F >::VVijka = nullptr |