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Create_plumed_input #483

Merged
merged 5 commits into from
Sep 11, 2024
Merged

Create_plumed_input #483

merged 5 commits into from
Sep 11, 2024

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KRiedmiller
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Expose script for plumed input file creation. These are needed for homolysis.

I implemented it as another entrypoint in the tools

@github-actions github-actions bot marked this pull request as draft September 11, 2024 12:40
@KRiedmiller KRiedmiller self-assigned this Sep 11, 2024
@KRiedmiller KRiedmiller marked this pull request as ready for review September 11, 2024 13:56
@KRiedmiller KRiedmiller merged commit 505c823 into main Sep 11, 2024
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@KRiedmiller KRiedmiller deleted the create_plumed_input branch September 11, 2024 14:07
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