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

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