Ecosyste.ms: Issues

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GitHub / shirtsgroup/physical_validation issues and pull requests

#98 - Test on Python 3.9

Pull Request - State: closed - Opened by mattwthompson almost 4 years ago - 2 comments

#79 - Add dependabot

Pull Request - State: closed - Opened by mattwthompson almost 4 years ago - 6 comments

#75 - String formatting issue in kinetic energy check_mean_std

Issue - State: closed - Opened by cwalker7 over 4 years ago - 3 comments

#67 - Check / prove that integrator test is valid for temperature / pressure coupling

Issue - State: open - Opened by ptmerz over 4 years ago - 1 comment
Labels: documentation

#64 - Update/tweak the tutorials

Issue - State: closed - Opened by mrshirts over 4 years ago - 4 comments

#63 - conda-forge to-do list

Issue - State: closed - Opened by mattwthompson over 4 years ago - 17 comments
Labels: deployment

#55 - Evaluate use of other packages reading molecular simulation result files

Issue - State: open - Opened by ptmerz over 4 years ago - 5 comments
Labels: question

#54 - Add example for usage with OpenMM

Issue - State: closed - Opened by ptmerz over 4 years ago - 8 comments
Labels: improvement, documentation

#52 - Add parser for HOOMD

Issue - State: open - Opened by ptmerz over 4 years ago - 4 comments
Labels: new feature

#50 - Add more real-world examples to documentation

Issue - State: closed - Opened by ptmerz over 4 years ago - 5 comments
Labels: documentation

#49 - Make sure that documentation is beginner-friendly

Issue - State: closed - Opened by ptmerz over 4 years ago - 6 comments
Labels: documentation

#48 - Think about pymbar dependency

Issue - State: closed - Opened by ptmerz over 4 years ago - 7 comments
Labels: improvement

#46 - Add developer guide to documentation

Issue - State: closed - Opened by ptmerz over 4 years ago - 1 comment
Labels: documentation, workflow

#44 - Document how documentation push to readthedocs works

Issue - State: closed - Opened by ptmerz over 4 years ago - 1 comment
Labels: documentation, deployment

#43 - Document how to release package

Issue - State: closed - Opened by ptmerz over 4 years ago - 1 comment
Labels: documentation, deployment

#37 - Implement code features requested for submission to Journal of Open Source Software

Issue - State: closed - Opened by mrshirts about 6 years ago - 2 comments
Labels: improvement, documentation, deployment, testing

#34 - Generating machine-readable results

Issue - State: open - Opened by mrshirts over 6 years ago - 6 comments
Labels: new feature

#31 - Add support for grand and semigrand ensembles

Issue - State: closed - Opened by mrshirts over 6 years ago - 5 comments
Labels: new feature

#2 - Make package installable (via pip? conda?)

Issue - State: closed - Opened by ptmerz over 7 years ago - 3 comments
Labels: deployment