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Second round of changes #3

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wants to merge 10 commits into from
Closed

Second round of changes #3

wants to merge 10 commits into from

Commits on Jul 22, 2021

  1. Tolerate truncated and restarted NAMD fepout files

    @ttjoseph
    ttjoseph committed Jul 22, 2021
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  2. Better tolerate when fepout file has no #NEW line

    @ttjoseph
    ttjoseph committed Jul 22, 2021
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Commits on Jul 29, 2021

  1. Explicitly parse lambda value strings to float. And, cosmetic changes

    @ttjoseph
    ttjoseph committed Jul 29, 2021
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Commits on Jul 31, 2021

  1. More descriptive comments

    @ttjoseph
    ttjoseph committed Jul 31, 2021
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Commits on Aug 12, 2021

  1. Merge remote-tracking branch 'jhenin/master'

    @ttjoseph
    ttjoseph committed Aug 12, 2021
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  2. Add jhenin and myself to AUTHORS

    @ttjoseph
    ttjoseph committed Aug 12, 2021
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  3. Use logger instead of print()

    @ttjoseph
    ttjoseph committed Aug 12, 2021
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  4. Tidy up error/warning messages

    @ttjoseph
    ttjoseph committed Aug 12, 2021
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  5. Raise exceptions instead of returning a magic None

    @ttjoseph
    ttjoseph committed Aug 12, 2021
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Commits on Aug 27, 2021

  1. Add test for restarted NAMD FEP run

    @ttjoseph
    ttjoseph committed Aug 27, 2021
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