Inheritance diagram for sc::PetiteList:
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: