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fix run.sh: explicit density list and fix output path#74

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V-Francois merged 1 commit into
TheDisorderedOrganization:mainfrom
cyfraysse:fix-run-script-v2
Apr 13, 2026
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fix run.sh: explicit density list and fix output path#74
V-Francois merged 1 commit into
TheDisorderedOrganization:mainfrom
cyfraysse:fix-run-script-v2

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@cyfraysse
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Two issues in the original run.sh:

  1. Formatting issue that broke the while loop and prevented reaching density 1.2 exactly → replaced with an explicit density lis.
  2. Wrong output path: trajectories/ → chains/

@cyfraysse cyfraysse requested a review from a team as a code owner April 13, 2026 07:34
Comment thread examples/ortho-terphenyl/1-create-config-right-density/run.sh
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codecov Bot commented Apr 13, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.

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  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@V-Francois V-Francois merged commit c76d738 into TheDisorderedOrganization:main Apr 13, 2026
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@cyfraysse cyfraysse deleted the fix-run-script-v2 branch April 13, 2026 09:12
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2 participants