sc::twobodyintcints(3)

NAME

sc::TwoBodyIntCints - This implements electron repulsion integrals in
the IntCints library.

SYNOPSIS

#include <tbintcints.h>
Inherits sc::TwoBodyInt.
Public Member Functions
TwoBodyIntCints (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 obtained from compute_shell.
void compute_shell (int, int, int, int)
    Given four shell indices, integrals will be computed and placed in
    the buffer.
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.
Protected Attributes
Ref< Int2eCints > int2ecints_

Detailed Description

This implements electron repulsion integrals in the IntCints library.

Member Function Documentation

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 obtained from compute_shell.; An index of -1 for any argument indicates any shell.; Implements sc::TwoBodyInt.
void sc::TwoBodyIntCints::compute_shell (int, int, int, int) [virtual]: Given four shell indices, integrals will be computed and placed in the buffer.; The first two indices correspond to electron 1 and the second two
indices correspond to electron 2.; Implements sc::TwoBodyInt.
const double* sc::TwoBodyIntCints::buffer (tbint_type 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.

Author

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