sc_canonical_aabc(3)
If the shell loop structure has 2 fold symmetry between the first two indices, then this should be used as the template argument to
Description
sc::canonical_aabc
NAME
sc::canonical_aabc - If the shell loop structure has 2 fold symmetry between the first two indices, then this should be used as the template argument to GPetite4.
SYNOPSIS
#include <gpetite.h>
Public Member Functions
canonical_aabc
(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, then this should be used as the template argument to GPetite4.
Author
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