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.
- Provided by: libsc-doc (Version: 2.3.1-21)
- Source: mpqc
- Report a bug
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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