provides ordering maps for up to angular momentum lmax and ordering specified by CGShellOrderingSpec
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#include <cgshellinfo.h>
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static int | cartindex (unsigned int am, int i, int j) |
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template<typename I1 , typename I2 , typename I3 > |
static void | cartindex_to_ijk (I1 am, I2 xyz, I3 &i, I3 &j, I3 &k) |
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template<typename OrderingData>
struct libint2::CGShellInfo< OrderingData >
provides ordering maps for up to angular momentum lmax and ordering specified by CGShellOrderingSpec
The documentation for this struct was generated from the following file: