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Searched refs:rdm2fderiv (Results 1 – 8 of 8) sorted by relevance

/dports/science/bagel/bagel-1.2.2/src/wfn/
H A Dreference.cc149 shared_ptr<Matrix> Reference::rdm2fderiv(const int istate, shared_ptr<const Matrix> fock, shared_pt… in rdm2fderiv() function in Reference
151 return fci.rdm2fderiv(istate, fock, dmat); in rdm2fderiv()
H A Dreference.h186 …std::shared_ptr<Matrix> rdm2fderiv(const int istate, std::shared_ptr<const Matrix> fock, std::shar…
/dports/science/bagel/bagel-1.2.2/src/ci/fci/
H A Dfci_base.h131 …virtual std::shared_ptr<Matrix> rdm2fderiv(const int istate, std::shared_ptr<const Matrix> fock, s…
H A Ddistfci.h122 …std::shared_ptr<Matrix> rdm2fderiv(const int istate, std::shared_ptr<const Matrix> fock, std::shar…
H A Dfci.h123 …std::shared_ptr<Matrix> rdm2fderiv(const int istate, std::shared_ptr<const Matrix> fock, std::shar…
H A Ddistfci_rdm.cc237 shared_ptr<Matrix> DistFCI::rdm2fderiv(const int istate, shared_ptr<const Matrix> fock, shared_ptr<… in rdm2fderiv() function in DistFCI
H A Dfci_rdmderiv.cc242 shared_ptr<Matrix> FCI::rdm2fderiv(const int target, shared_ptr<const Matrix> fock, shared_ptr<cons… in rdm2fderiv() function in FCI
/dports/science/bagel/bagel-1.2.2/src/smith/
H A Dspinfreebase.cc480 shared_ptr<Matrix> rdm2fd = info->ref()->rdm2fderiv(istate, fockact, rdm1d_full); in feed_rdm_2fderiv()