sc::TwoBodyDerivIntCints Class Reference

This implements electron repulsion derivative integrals in the IntV3 library. More...

#include <tbintcints.h>

Inheritance diagram for sc::TwoBodyDerivIntCints:

sc::TwoBodyDerivInt sc::RefCount sc::Identity List of all members.

Public Member Functions

 TwoBodyDerivIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
int log2_shell_bound (int, int, int, int)
 Return log base 2 of the maximum magnitude of any integral in a shell block.
void compute_shell (int, int, int, int, DerivCenters &)
 Given for shell indices, this will cause the integral buffer to be filled in.
size_t used_storage () const

Protected Attributes

Ref< Int2eCintsint2ecints_

Detailed Description

This implements electron repulsion derivative integrals in the IntV3 library.


Member Function Documentation

int sc::TwoBodyDerivIntCints::log2_shell_bound ( int  ,
int  ,
int  ,
int   
) [virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block.

An index of -1 for any argument indicates any shell.

Implements sc::TwoBodyDerivInt.

void sc::TwoBodyDerivIntCints::compute_shell ( int  ,
int  ,
int  ,
int  ,
DerivCenters  
) [virtual]

Given for shell indices, this will cause the integral buffer to be filled in.

Implements sc::TwoBodyDerivInt.


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