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¶

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.