#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 |
The computed shell integrals will be put in the buffer returned by this member. | |
Protected Attributes | |
Ref< Int2eCints > | int2ecints_ |
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.
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.
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.