MPQC  2.3.1
Public Member Functions
sc::ShellExtent Class Reference
Inheritance diagram for sc::ShellExtent:
sc::RefCount sc::Identity

List of all members.

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 &)
RefCountoperator= (const RefCount &)

Member Function Documentation

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.


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

Generated at Fri Aug 3 2012 03:28:53 for MPQC 2.3.1 using the documentation package Doxygen 1.8.1.1.