sc::TwoBodyIntCCA(3) MPQC sc::TwoBodyIntCCA(3)NAME
sc::TwoBodyIntCCA - This implements two body integrals through the CCA
interface.
SYNOPSIS
#include <tbintcca.h>
Inherits sc::TwoBodyInt.
Public Member Functions
TwoBodyIntCCA (Integral *, const Ref< GaussianBasisSet > &b1, const
Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3,
const Ref< GaussianBasisSet > &b4, size_t storage,
IntegralEvaluatorFactory, bool, string)
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.
int redundant () const
If redundant is true, then keep redundant integrals in the buffer.
void set_redundant (int i)
See redundant().
Protected Attributes
Ref< Int2eCCA > int2ecca_
Additional Inherited Members
Detailed Description
This implements two body integrals through the CCA interface.
Member Function Documentation
void sc::TwoBodyIntCCA::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::TwoBodyIntCCA::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.
int sc::TwoBodyIntCCA::redundant () const [inline], [virtual]
If redundant is true, then keep redundant integrals in the buffer. The
default is true.
Reimplemented from sc::TwoBodyInt.
Author
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Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyIntCCA(3)
