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sc::PetiteList(3)                    MPQC                    sc::PetiteList(3)

NAME

sc::PetiteList -

SYNOPSIS

Inherits sc::RefCount. Public Member Functions PetiteList (const Ref< GaussianBasisSet > &, const Ref< Integral > &) Ref< GaussianBasisSet > basis () Ref< Integral > integral () Ref< PetiteList > clone () int nirrep () const int order () const int atom_map (int n, int g) const int shell_map (int n, int g) const int lambda (int ij) const int lambda (int i, int j) const int in_p1 (int n) const int in_p2 (int ij) const int in_p2 (int i, int j) const Same as previous, except for it takes i and j separately. int in_p4 (int ij, int kl, int i, int j, int k, int l) const int in_p4 (int i, int j, int k, int l) const Same as previous, except for doesn't assume ij > kl and recomputes them. int nfunction (int i) const int nblocks () const void print (std::ostream &=ExEnv::out0(), int verbose=1) RefSCDimension AO_basisdim () RefSCDimension SO_basisdim () RefSCMatrix r (int g) SO_block * aotoso_info () RefSCMatrix aotoso () RefSCMatrix sotoao () void symmetrize (const RefSymmSCMatrix &skel, const RefSymmSCMatrix &sym) RefSymmSCMatrix to_SO_basis (const RefSymmSCMatrix &) RefSymmSCMatrix to_AO_basis (const RefSymmSCMatrix &) RefSCMatrix evecs_to_AO_basis (const RefSCMatrix &) RefSCMatrix evecs_to_SO_basis (const RefSCMatrix &) Additional Inherited Members Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::PetiteList(3)

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