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sc::TwoBodyIntCints Class Reference

This implements electron repulsion integrals in the IntCints library. More...

#include <tbint.h>

Inheritance diagram for sc::TwoBodyIntCints:

[legend]Collaboration diagram for sc::TwoBodyIntCints:

[legend]List of all members.

Public Methods
	TwoBodyIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)
	~TwoBodyIntCints ()
int	log2_shell_bound (int, int, int, int)
	Return log base 2 of the maximum magnitude of any integral in a shell block. More...
void	compute_shell (int, int, int, int)
	Given for shell indices, this will cause the integral buffer to be filled in.
size_t	used_storage () const
void	set_integral_storage (size_t storage)
	This storage is used to cache computed integrals.
const double *	buffer (tbint_type te_type) const
	The computed shell integrals will be put in the buffer returned by this member. More...
Protected Attributes
Ref< Int2eCints >	int2ecints_

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Detailed Description

This implements electron repulsion integrals in the IntCints library.

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Member Function Documentation

const double* sc::TwoBodyIntCints::buffer (  tbint_type    te_type )  const [inline, virtual]

The computed shell integrals will be put in the buffer returned by this member. Some TwoBodyInt specializations have more than one buffer: The type arguments selects which buffer is returned. If the requested type is not supported, then 0 is returned. Reimplemented from sc::TwoBodyInt.

int sc::TwoBodyIntCints::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::TwoBodyInt.

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The documentation for this class was generated from the following file:

• cints/tbint.h

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