#include <tbintcints.h>
Inheritance diagram for sc::TwoBodyIntCints:
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 |
Protected Attributes | |
Ref< Int2eCints > | int2ecints_ |
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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. |
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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. |