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Public Member Functions | Protected Attributes
sc::TwoBodyIntCints Class Reference

This implements electron repulsion integrals in the IntCints library. More...

`#include <tbintcints.h>`

Inheritance diagram for sc::TwoBodyIntCints:

List of all members.

## 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_

## Detailed Description

This implements electron repulsion integrals in the IntCints library.

## Member Function Documentation

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.

The documentation for this class was generated from the following file:

- tbintcints.h