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Add units tab to docs #402

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merged 9 commits into from
Apr 22, 2021
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jennyfothergill
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@jennyfothergill jennyfothergill commented Apr 12, 2021

PR Summary:

With a little more work this fixes #137

  • distance is in nm
  • energy is in kJ/mol
  • angles are radians
  • harmonic bonds are defined with a factor of 0.5 in front.
  • Include the simple conversions from opls-style fourier series to RB.

related to mosdef-hub/mbuild#858 (The links will not work until both are merged)

PR Checklist


  • Includes appropriate unit test(s)
  • Appropriate docstring(s) are added/updated
  • Code is (approximately) PEP8 compliant
  • Issue(s) raised/addressed?

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codecov bot commented Apr 12, 2021

Codecov Report

Merging #402 (1cacf63) into master (2db95ac) will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff           @@
##           master     #402   +/-   ##
=======================================
  Coverage   71.28%   71.28%           
=======================================
  Files          16       16           
  Lines        1508     1508           
=======================================
  Hits         1075     1075           
  Misses        433      433           

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@umesh-timalsina umesh-timalsina left a comment

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General comments. Looks Good.

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@jennyfothergill
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it seems like without the readthedocs.yml the build is no longer triggered in the PR. @umesh-timalsina can you fix this in the rtd dashboard?

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umesh-timalsina commented Apr 13, 2021

@jennyfothergill. It should be now.

@daico007 daico007 merged commit 4378f15 into mosdef-hub:master Apr 22, 2021
@jennyfothergill jennyfothergill deleted the feat/unitdocs branch December 7, 2021 17:29
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Clear documentation of expected parameter input
4 participants