MPQC 2.3.1

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sc::PetiteList Class Reference
Inheritance diagram for sc::PetiteList:

List of all members.

## 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 &)

The documentation for this class was generated from the following file:

- petite.h