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 &)

       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.

   Additional Inherited Members
       Protected Member Functions inherited from sc::RefCount
       RefCount (const RefCount &)
       RefCount & operator= (const RefCount &)

Author

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