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sc::canonical_abcd(3) MPQC sc::canonical_abcd(3)

NAME

sc::canonical_abcd - If the shell loop structure has no symmetry, then this should be used as the template argument to GPetite4.

SYNOPSIS

#include <gpetite.h>

Public Member Functions


canonical_abcd (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 no symmetry, then this should be used as the template argument to GPetite4.

Author

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Fri Dec 2 2022 Version 2.3.1