| sc::canonical_aabc(3) | MPQC | sc::canonical_aabc(3) |
sc::canonical_aabc - 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.
#include <gpetite.h>
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)
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.
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| Fri Dec 2 2022 | Version 2.3.1 |