sc::CuspConsistentGeminalCoefficient Class Reference

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.
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
	Return 1 if the object is managed. Otherwise return 0.

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.

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

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