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_
Detailed Description
This implements two body integrals through the CCA interface.
Member Function Documentation
- 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.
- 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::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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