Libint2::molden::Export cartesian D functions

[cmasteran1]

currently, creating an export object using cartesian d functions is not explicitly printing [6D] above [MO] in the .molden file. I saw documentation from molden saying that this print was not required which may be why it is not implemented. however, without this specification, Jmol does not know how to interpret the input. honestly this might be just an issue with Jmol, but it can't hurt to add an explicit statement.

[evaleev]

OK, create a PR please.

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On Mon, Mar 23, 2020 at 9:23 PM cmasteran1 ***@***.***> wrote: currently, creating an export object using cartesian d functions is not explicitly printing [6D] above [MO] in the .molden file. I saw documentation from molden saying that this print was not required which may be why it is not implemented. however, without this specification, Jmol does not know how to interpret the input. honestly this might be just an issue with Jmol, but it can't hurt to add an explicit statement. — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#165>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AAQXIZ2WMGHPMFTX5KPQWRTRJADRJANCNFSM4LSJJFEQ> .

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[evaleev]

Molden dox do not mention [6D] anywhere: https://www3.cmbi.umcn.nl/molden/molden_format.html ... my guess is this is a Jmol issue.