sc_canonical_aabc - Man Page

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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Info

Tue Jan 26 2021 Version 2.3.1 MPQC