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@xiki-tempula xiki-tempula commented Jul 24, 2024

Fix #382

  • add link to docs in README
  • add tutorial section to docs

See openjournals/joss-reviews#6934 :

  • providing a single example case with input file, e.g. simple example, e.g., a self-contained jupyter notebook, to walk through the main functionalities.
  • add link to docs inside README

@xiki-tempula xiki-tempula requested a review from orbeckst July 24, 2024 20:17
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codecov bot commented Jul 24, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.83%. Comparing base (f40b89b) to head (7031577).
Report is 30 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #379   +/-   ##
=======================================
  Coverage   98.83%   98.83%           
=======================================
  Files          28       28           
  Lines        1895     1895           
  Branches      407      407           
=======================================
  Hits         1873     1873           
  Misses          2        2           
  Partials       20       20           

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Looking good, I am just making small edits and add a bit more content to workflows (copied and shortened from docs).

- add ABFE example
- make link names more expressive
- fixed issue/PR ref in CHANGELOG
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@ryankzhu would you like to review the added tutorial?

The built docs are at https://alchemlyb--379.org.readthedocs.build/en/379/tutorial.html

@orbeckst orbeckst self-assigned this Jul 25, 2024
@orbeckst orbeckst added the paper label Jul 25, 2024
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@xiki-tempula let's wait with merging for at least 2 days to give our JOSS reviewers a chance to look at it and ask for changes.

@ryankzhu
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Thank you for adding the tutorial section to the docs! The tutorial looks good to me.

@orbeckst orbeckst merged commit 124f148 into alchemistry:master Jul 26, 2024
@xiki-tempula xiki-tempula deleted the feat_doc branch July 27, 2024 19:01
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[JOSS] Adding tutorials and link to documentation

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