sc_canonical_aabb - Man Page
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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Info
Version 2.3.1 MPQC