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Fix issue #318 #319

Merged
merged 1 commit into from
Jul 29, 2024
Merged

Fix issue #318 #319

merged 1 commit into from
Jul 29, 2024

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lohedges
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This PR exposes the extra_args kwarg for BioSimSpace.Process.Somd. This is available for the other process classes but had (for some reason) been omitted for this one. I've tested by running charge change perturbations with SOMD, e.g. by passing extra_args={"-q": -1"}.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

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@mb2055

@lohedges lohedges added the bug Something isn't working label Jul 24, 2024
@lohedges lohedges requested a review from mb2055 July 24, 2024 13:16
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 13:16 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 13:16 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 13:16 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 24, 2024 14:07 — with GitHub Actions Inactive
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Looks good 👍

@lohedges lohedges merged commit 9c683ea into devel Jul 29, 2024
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@lohedges lohedges deleted the fix_318 branch July 29, 2024 09:00
lohedges added a commit that referenced this pull request Jul 29, 2024
lohedges added a commit that referenced this pull request Jul 29, 2024
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2 participants