sc::canonical_aabb(3) then this should be used as the template argument to GPetite4.

Other Alias

If the shell loop structure has 2 fold symmetry between the first two indices and a 2 fold symmetry between the last two indices

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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