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relaxed coordinate scans #9

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loriab opened this issue Feb 10, 2016 · 1 comment
Open

relaxed coordinate scans #9

loriab opened this issue Feb 10, 2016 · 1 comment

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@loriab
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loriab commented Feb 10, 2016

The List 5 & 6 tied with psi4/psi4#42

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loriab commented Jan 15, 2017

Moving main issue to here from psi4 repo.

CDS: WebMO can do nice coordinate scans but PSI4 can't parse the corresponding output. Matt said he could look at this and that JR might have put in an update to WebMO to make it easier for us to handle.

loriab commented on Feb 10, 2016:
I think @matthewkennedy6 fixed this for frozen scans. It's just relaxed scans that still need an interface.

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