#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_ |
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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. |
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If redundant is true, then keep redundant integrals in the buffer. The default is true. Reimplemented from sc::TwoBodyInt. |