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| 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.
void sc::TwoBodyIntCCA::set_integral_storage (size_t storage) [virtual]
This storage is used to cache computed integrals.Reimplemented from sc::TwoBodyInt.
void sc::TwoBodyIntCCA::set_redundant (int i) [inline], [virtual]
See redundant().Reimplemented from sc::TwoBodyInt.
Author
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