updated docs - Githubissues

alchemistry / alchemtest

the simple alchemistry test set

https://alchemtest.readthedocs.io

BSD 3-Clause "New" or "Revised" License

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Closed orbeckst closed 6 years ago

orbeckst commented 6 years ago

dataset descriptions get a one line summary before the notes section: adjusted gmx and amber descr.rst files
include Amber datasets
- load_invalidfiles() had been forgotten
- formatted Wang 2015 reference
- fixed reST in description files
- reference in main docs so that amber module is accessible
- removed duplicated reST link targets
reformatted gmx docs and updated example to include licensing
added docs for Bunch (which now get linked from everywhere)

orbeckst commented 6 years ago

Fixed after merge of PR #14, rebased and force pushed.

orbeckst commented 6 years ago

@davidlmobley @shuail – could someone please review?

shuail commented 6 years ago

@orbeckst Look good to me! Sorry, I think I somehow missed/forgot the email when this pull request was created.

orbeckst commented 6 years ago

Thanks!