sc_canonical_aaaa(3)

If the shell loop structure has 8 fold symmetry, then this should be used as the template argument to GPetite4.

Section 3 libsc-doc bookworm source

Description

sc::canonical_aaaa

NAME

sc::canonical_aaaa - If the shell loop structure has 8 fold symmetry, then this should be used as the template argument to GPetite4.

SYNOPSIS

#include <gpetite.h>

Public Member Functions

canonical_aaaa (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 8 fold symmetry, then this should be used as the template argument to GPetite4.

Author

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