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sc::canonical_aabb(3) MPQC sc::canonical_aabb(3)

NAME

sc::canonical_aabb - If the shell loop structure has 2 fold symmetry between the first two indices and a 2 fold symmetry between the last two indices, then this should be used as the template argument to GPetite4.

SYNOPSIS

#include <gpetite.h>

Public Member Functions


canonical_aabb (const Ref< GaussianBasisSet > bi, const Ref< GaussianBasisSet > bj, const Ref< GaussianBasisSet > bk, const Ref< GaussianBasisSet > bl)
sc_int_least64_t offset (int i, int j, int k, int l)

Detailed Description

If the shell loop structure has 2 fold symmetry between the first two indices and a 2 fold symmetry between the last two indices, then this should be used as the template argument to GPetite4.

Author

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Fri Dec 2 2022 Version 2.3.1