Computes fixed coefficients determined according to the cusp conditions for geminal (r12-dependent) functions that have been normalized so that coefficient of r12 in Taylor expansion around r12=0 is 1. More...

#include <chemistry/qc/mbptr12/fixedcoefficient.h>

Inheritance diagram for sc::CuspConsistentGeminalCoefficient:

Public Member Functions
	CuspConsistentGeminalCoefficient (SpinCase2 pairspin)

double	C (unsigned int O, unsigned int W, unsigned int P, unsigned int Q)
	OW: Indices of geminal generating space PQ: Indices of space from which geminal substitutions are allowed.

Public Member Functions inherited from sc::RefCount
size_t	identifier () const
	Return the unique identifier for this object that can be compared for different objects of different types. More...

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. More...

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

RefCount &	operator= (const RefCount &)

Detailed Description

Computes fixed coefficients determined according to the cusp conditions for geminal (r12-dependent) functions that have been normalized so that coefficient of r12 in Taylor expansion around r12=0 is 1.

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

src/lib/chemistry/qc/mbptr12/fixedcoefficient.h

Public Member Functions

Additional Inherited Members

Detailed Description