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alchemistry / alchemtest

the simple alchemistry test set
https://alchemtest.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Small change in bace_improper output file to increase alchemlyb test coverage #23

Closed brycestx closed 6 years ago

brycestx commented 6 years ago

Changes a clambda value in bace_improper solvated vdw output file to address alchemlyb test coverage.

orbeckst commented 6 years ago

@brycestx I had already merged your PR #22. This PR contains commits that are already (squashed) into master and I'd like to avoid any confusion that could be hard to entangle afterwards.

Can you please

  1. git pull master
  2. create a new PR with cc7f1a09558f10360b70bd389f116bcdaeca2ebe included

The following might work

git checkout master
git pull
git checkout -b mbar-bace-example-2
git cherry-pick cc7f1a09558f10360b70bd389f116bcdaeca2ebe
git push -u origin mbar-bace-example-2

and create PR on GitHub.

I am closing this PR.