sc_PetiteList - Man Page

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 &)

Public Member Functions inherited from sc::RefCount
int lock_ptr () const
Lock this object.
int unlock_ptr () const
Unlock this object.
void use_locks (bool inVal)
start and stop using locks on this object
refcount_t nreference () const
Return the reference count.
refcount_t reference ()
Increment the reference count and return the new count.
refcount_t dereference ()
Decrement the reference count and return the new count.
int managed () const
void unmanage ()
Turn off the reference counting mechanism for this object.
int managed () const
Return 1 if the object is managed. Otherwise return 0.

Public Member Functions inherited from sc::Identity
Identifier identifier ()
Return the Identifier for this argument.

Protected Member Functions inherited from sc::RefCount

RefCount (const RefCount &)
RefCount & operator= (const RefCount &)