sc_TwoBodyDerivIntCints3
This implements electron repulsion derivative integrals in the intv3 library.
Usage
#include <tbintcints.h>
Inherits sc::TwoBodyDerivInt.
Public Member Functions
TwoBodyDerivIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
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 used_storage () const
Protected Attributes
Ref< Int2eCints > int2ecints_
Additional Inherited Members
Detailed Description
This implements electron repulsion derivative integrals in the IntV3 library.
Member Function Documentation
void sc::TwoBodyDerivIntCints::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.
int sc::TwoBodyDerivIntCints::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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.