From NWChem

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Dear J. Hammond

I found, that there is some code to unload data to MOLDEN format (described http://www.cmbi.ru.nl/molden/molden_format.html).


Is it callable from input (*.nw) file?

I just need the [Atoms], [GTO] and [MO] sections to feed it into molden2qmc converter https://github.com/Konjkov/molden2qmc

with respect Vladimir.

Gets Around
Threads 24
Posts 86
or maybe ECCE format is as good as Molden, who knows....

Gets Around
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Posts 85
I do not actively monitor this forum anymore because email notifications are all-or-nothing. I will respond to your email shortly.

Other interested parties should use email as well. My email is readily findable on the internet via Google...

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