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fix: use correct distances.dat when starting from existing traj #485

Merged
merged 11 commits into from
Sep 13, 2024
Merged

fix: use correct distances.dat when starting from existing traj #485

merged 11 commits into from
Sep 13, 2024

Commits on Sep 11, 2024

  1. use correct distances.dat when starting from existing traj

    @jmbuhr
    jmbuhr committed Sep 11, 2024
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  2. format

    @jmbuhr
    jmbuhr committed Sep 11, 2024
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Commits on Sep 12, 2024

  1. Merge branch 'main' into plumed-fixes

    @jmbuhr
    jmbuhr committed Sep 12, 2024
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Commits on Sep 13, 2024

  1. allow checking for file existance

    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  2. fallback to gro location when looking for plumed output without traj

    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  3. format

    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  4. don't need to look for plumed out in parent dir of plumed in because … 

    …we find it relative to traj or gro
    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  5. Revert "allow checking for file existance" 

    This reverts commit 4e962a3.
    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  6. still look for plumed

    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  7. only set plumed key

    @jmbuhr
    jmbuhr committed Sep 13, 2024
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  8. move logic to discover plumed out to get_existing_files

    @jmbuhr
    jmbuhr committed Sep 13, 2024
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