evaleev
commented
4 years ago OK, create a PR please.
On Mon, Mar 23, 2020 at 9:23 PM cmasteran1 notifications@github.com 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.
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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.