#include <tbintcca.h>
Inheritance diagram for sc::TwoBodyIntCCA:
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_ |
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.
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::redundant | ( | ) | const [inline, virtual] |
If redundant is true, then keep redundant integrals in the buffer.
The default is true.
Reimplemented from sc::TwoBodyInt.