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Minutes 2017 10 30

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Oliver Beckstein edited this page Nov 11, 2017 · 2 revisions

Quick summary of the discussion on 2017-10-30:

  1. aims: see https://github.com/alchemistry/alchemlyb/wiki/Roadmap#aims (I updated the page based on our discussion)

    General consensus was that we need convergence analysis and plotting ("bells and whistles”) in order to give people (including ourselves) an obvious incentive to adopt the library. (The deeper incentive should be "a set of well-tested algorithms" ;-) ).

  2. move forward with Amber parsers (Shuai, see https://github.com/alchemistry/alchemlyb/pull/32) as the first major milestone; also use this PR to figure out a good development workflow (adding tests, making sure that CI works etc)

  3. added initial developer guide https://github.com/alchemistry/alchemlyb/wiki/Developer-Guide

  4. Bryce mentioned real world systems that would make for good tutorials: will be needed to show off capabilities

  5. By following a test-driven development model where ALL code is added to the master branch through reviewed and tested PRs it will be much easier

    • to use code blocks from alchemical-analysis
    • to enable other developers to contribute (increasing community participation)

We will try to communicate more during the next two weeks and determine a few days before the next call Mon Nov 13) if there’s enough to warrant a call.

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