#include <tbintcca.h>
Inheritance diagram for sc::TwoBodyDerivIntCCA:
Public Member Functions | |
TwoBodyDerivIntCCA (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. | |
void | compute_shell (int, int, int, int, DerivCenters &) |
Given for shell indices, this will cause the integral buffer to be filled in. | |
size_t | storage_used () |
void | set_integral_storage (size_t storage) |
int | redundant () const |
void | set_redundant (int i) |
Protected Attributes | |
Ref< Int2eCCA > | int2ecca_ |
int sc::TwoBodyDerivIntCCA::log2_shell_bound | ( | int | , | |
int | , | |||
int | , | |||
int | ||||
) | [virtual] |
Return log base 2 of the maximum magnitude of any integral in a shell block.
An index of -1 for any argument indicates any shell.
Implements sc::TwoBodyDerivInt.
void sc::TwoBodyDerivIntCCA::compute_shell | ( | int | , | |
int | , | |||
int | , | |||
int | , | |||
DerivCenters & | ||||
) | [virtual] |
Given for shell indices, this will cause the integral buffer to be filled in.
Implements sc::TwoBodyDerivInt.