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

  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'.

Author

Generated automatically by Doxygen for MPQC from the source code'.