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Support periodic systems in the energy target#90

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JMorado wants to merge 6 commits intoopenforcefield:mainfrom
JMorado:feature_periodic_systems
Open

Support periodic systems in the energy target#90
JMorado wants to merge 6 commits intoopenforcefield:mainfrom
JMorado:feature_periodic_systems

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@JMorado
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@JMorado JMorado commented Mar 23, 2026

Description

This PR adds support for using the energy target with periodic systems.

Status

  • Ready to go

@lilyminium
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Thanks @JMorado! This seems like a good addition, but it'd be great to get more eyes on it -- @fjclark would you be up for reviewing this?

@fjclark
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fjclark commented Mar 24, 2026

Yes I'll take a look this week!

@fjclark
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fjclark commented Mar 25, 2026

Thanks, this looks good to me and I don't have any comments.

@JMorado
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JMorado commented Mar 25, 2026

Thanks, @fjclark! It looks like I need to run Ruff formatting on the files. I'll do that and push the changes.

@fjclark
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fjclark commented Mar 25, 2026

Great! If you run make env it should install the pre-commit hook which includes this.

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3 participants