Public Member Functions¶

TwoBodyIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
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 used_storage () const
void set_integral_storage (size_t storage)
This storage is used to cache computed integrals. const double * buffer (tbint_type te_type) const
The computed shell integrals will be put in the buffer returned by this member.

Protected Attributes¶

Ref< Int2eCints > int2ecints_

Additional Inherited Members¶

const double* sc::TwoBodyIntCints::buffer (tbint_type type) const [inline], [virtual]¶

The computed shell integrals will be put in the buffer returned by this member. Some TwoBodyInt specializations have more than one buffer: The type arguments selects which buffer is returned. If the requested type is not supported, then 0 is returned.

Reimplemented from sc::TwoBodyInt.

void sc::TwoBodyIntCints::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::TwoBodyIntCints::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.