Black formatting

[a-ws-m]

Use black to format two files, per this request.

[codecov]

Codecov Report

Merging #269 (2ddf4cd) into develop (3971e5d) will not change coverage.
The diff coverage is 82.32%.

@@           Coverage Diff            @@
##           develop     #269   +/-   ##
========================================
  Coverage    81.29%   81.29%           
========================================
  Files           15       15           
  Lines         1978     1978           
  Branches       297      297           
========================================
  Hits          1608     1608           
  Misses         278      278           
  Partials        92       92           

Files Changed	Coverage Δ
mdpow/restart.py	73.10% <55.55%> (ø)
mdpow/workflows/base.py	83.07% <70.00%> (ø)
mdpow/fep.py	68.77% <74.07%> (ø)
mdpow/config.py	84.82% <75.00%> (ø)
mdpow/run.py	71.58% <78.94%> (ø)
mdpow/equil.py	80.68% <86.48%> (ø)
mdpow/forcefields.py	87.80% <92.30%> (ø)
mdpow/analysis/ensemble.py	97.18% <95.83%> (ø)
mdpow/__init__.py	100.00% <100.00%> (ø)
mdpow/analysis/dihedral.py	100.00% <100.00%> (ø)
... and 5 more

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[orbeckst]

Let's just switch everything over to black #271 — I wanted to try that out in a project anyway.

@a-ws-m could you do the honors and blacken the whole code base, please?

[orbeckst]

See #271 — please

• blacken all code (in mdpow, mdpow/tests, and scripts)
• add yourself to AUTHORS
• add an entry to CHANGES

[a-ws-m]

Done, I also:

• Added a .git-blame-ignore-revs per the suggestion on that link you sent.
• Added some files in .vscode so that users of that editor will be recommended to install black and have it format Python files upon saving.

[orbeckst]

Thank you! Looking good.

There are minor formatting changes for the CHANGES. You can just accept my "suggestions" from the comments.

My original plan was to squash-merge. However, if you're familiar with git then you could rewrite the history of this branch into two commits:

1. all black changes
2. all other changes (AUTHORS, CHANGES, workflows, updated .git-blame-ignore-revs with the commit ID of (1))

Then I will be able to just merge without any need for any further changes.

Let me know if you want to rewrite the history. Otherwise I'll squash-merge after the code review suggestions are included and tests pass.

[orbeckst]

Thanks for adding. I'll squah-merge and then rewrite this file afterwards with the proper commit id.

[orbeckst]

(Unless you rewrite the history yourself and add the proper commit ID of the single commit with all black-generated changes. See review comment.)

[a-ws-m]

Hi, I'm not confident I'll get that right to be honest with you! If it's OK, I'll leave it to you to change the hashes after merging.

[orbeckst]

ok, will do

[orbeckst]

I rewrote the history.

[orbeckst]

Alright, we're now using black!