sc::TwoBodyIntV3(3) MPQC sc::TwoBodyIntV3(3)NAME
sc::TwoBodyIntV3 - This implements electron repulsion integrals in the
IntV3 library.
SYNOPSIS
#include <tbintv3.h>
Inherits sc::TwoBodyInt.
Public Member Functions
TwoBodyIntV3 (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 obtained from compute_shell.
void compute_shell (int, int, int, int)
Given four shell indices, integrals will be computed and placed in
the buffer.
size_t storage_used ()
void set_integral_storage (size_t storage)
This storage is used to cache computed integrals.
Protected Attributes
Ref< Int2eV3 > int2ev3_
Additional Inherited Members
Detailed Description
This implements electron repulsion integrals in the IntV3 library.
Member Function Documentation
void sc::TwoBodyIntV3::compute_shell (int, int, int, int) [virtual]
Given four shell indices, integrals will be computed and placed in the
buffer. The first two indices correspond to electron 1 and the second
two indices correspond to electron 2.
Implements sc::TwoBodyInt.
int sc::TwoBodyIntV3::log2_shell_bound (int, int, int, int) [virtual]
Return log base 2 of the maximum magnitude of any integral in a shell
block obtained from compute_shell. An index of -1 for any argument
indicates any shell.
Implements sc::TwoBodyInt.
Author
Generated automatically by Doxygen for MPQC from the source code.
Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyIntV3(3)
