Public Member Functions

void init (const Ref< GaussianBasisSet > &, double resolution=1.0, double tolerance=DBL_EPSILON)
const std::vector< ExtentData > & contributing_shells (int x, int y, int z)
Returns the shells that are nonzero at coordinates x, y, z. const std::vector< ExtentData > & contributing_shells (double x, double y, double z)
void print (std::ostream &o=ExEnv::out0())
const int * n () const
int n (int ixyz) const
double lower (int ixyz) const
double upper (int ixyz) const
double resolution () const

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 &)

const std::vector< ExtentData > & sc::ShellExtent::contributing_shells (int x, int y, int z) [inline]

Returns the shells that are nonzero at coordinates x, y, z. The shells numbers are in ascending order.