sc::twobodyderivintv3(3)

NAME

sc::TwoBodyDerivIntV3 - This implements electron repulsion derivative
integrals in the IntV3 library.

SYNOPSIS

#include <tbintv3.h>
Inherits sc::TwoBodyDerivInt.
Public Member Functions
TwoBodyDerivIntV3 (Integral *integral, const Ref< GaussianBasisSet >
    &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet
    > &b3, const Ref< GaussianBasisSet > &b4, size_t storage)
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 storage_used ()
Protected Attributes
Ref< Int2eV3 > int2ev3_

Detailed Description

This implements electron repulsion derivative integrals in the IntV3
library.

Member Function Documentation

int sc::TwoBodyDerivIntV3::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::TwoBodyDerivIntV3::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.

Author

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Version 2.3.1 15 Mar 2008 sc::TwoBodyDerivIntV3(3)