Public Member Functions¶

TwoBodyDerivIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage)
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 ()

Protected Attributes¶

Ref< Int2eV3 > int2ev3_

Additional Inherited Members¶

int sc::TwoBodyDerivIntV3::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.