sc::twobodyderivintcints(3)
NAME
sc::TwoBodyDerivIntCints - This implements electron repulsion
derivative integrals in the IntV3 library.
SYNOPSIS
#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_
Detailed Description
This implements electron repulsion derivative integrals in the IntV3
library.
Member Function Documentation
- 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.
- 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.
Author
- Generated automatically by Doxygen for MPQC from the source code.