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Macromodel hessian weight assignment#70

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v3op01 wants to merge 7 commits intoQ2MM:masterfrom
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Open

Macromodel hessian weight assignment#70
v3op01 wants to merge 7 commits intoQ2MM:masterfrom
v3op01:master

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@v3op01
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@v3op01 v3op01 commented Oct 24, 2019

Supposedly fixing the problem discussed.

@ericchansen
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Can you add some docs to sch_util.py before approval? What The function names and variables don't clearly express what they do. I think some docstrings should be required.

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v3op01 commented Oct 24, 2019

Added descriptions

@v3op01 v3op01 closed this Oct 24, 2019
@v3op01 v3op01 reopened this Oct 24, 2019
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v3op01 commented Mar 13, 2020

With the most recent issue fixed in compare.py

@ericchansen
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referencing issue #73

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ericchansen commented Mar 13, 2020

Can anyone run some tests on this code? If it passes some tests, I'd say good enough.

@mmfarrugia
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Hi @ericchansen and @v3op01 ,

I know it's been quite some time, but do you happen to recall what this was? If it was in Kevin's local version of q2mm on the group afs then it has been incorporated, but otherwise it would be good to know what this might have been since the PR was never approved and merged.

Thanks!

Mikaela

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I think I have to defer to @v3op01 as the expert on this PR. I can't recall the original issue or intent of these code changes.

I more-or-less gave this OR a thumbs up 4 years ago, but take my input with a grain of salt. I never ran any tests with this branch myself.

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3 participants