#include <tbintv3.h>
Inheritance diagram for sc::TwoBodyTwoCenterIntV3:
Public Member Functions | |
TwoBodyTwoCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, size_t storage) | |
int | log2_shell_bound (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) |
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. | |
Protected Attributes | |
Ref< Int2eV3 > | int2ev3_ |
int sc::TwoBodyTwoCenterIntV3::log2_shell_bound | ( | 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::TwoBodyTwoCenterInt.
void sc::TwoBodyTwoCenterIntV3::compute_shell | ( | int | , | |
int | ||||
) | [virtual] |
Given four shell indices, integrals will be computed and placed in the buffer.
The first index corresponds to electron 1 and the second index corresponds to electron 2.
Implements sc::TwoBodyTwoCenterInt.