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Implement Angle Interactions #282

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Merged
mphoward merged 30 commits into from
Jan 10, 2025
Merged

Implement Angle Interactions #282

mphoward merged 30 commits into from
Jan 10, 2025

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@clpetix
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@clpetix clpetix commented Dec 11, 2024

Implement harmonic, cosine, cosine squared, and spline angles in LAMMPS and HOOMD.

@clpetix clpetix force-pushed the feature/angle-interactions branch from 5736f88 to ae271e4 Compare January 7, 2025 17:46
@clpetix clpetix changed the base branch from feature/bonded-interactions to main January 7, 2025 17:46
@clpetix clpetix requested a review from mphoward January 7, 2025 22:34
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clpetix commented Jan 7, 2025

@mphoward, this should be ready for you to review!

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mphoward requested changes Jan 8, 2025
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This looks great! I had a couple comments mostly related to class names and inheritance, but otherwise this is almost good to go.

clpetix
clpetix commented Jan 8, 2025
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clpetix commented Jan 8, 2025
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clpetix
clpetix commented Jan 8, 2025
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clpetix commented Jan 8, 2025

@mphoward, I added in your suggestions. While testing the inheritance problem pointed out, I found a bug that slipped through the cracks from the bonds PR and addressed that as noted above.

Aside from a question above, this should be good for you have another look at!

mphoward
mphoward reviewed Jan 8, 2025
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clpetix commented Jan 9, 2025

@mphoward this should be ready for you again!

@mphoward mphoward marked this pull request as ready for review January 9, 2025 17:14
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mphoward approved these changes Jan 9, 2025
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Looks great! Please address the small comments here, then this is ready to merge.

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clpetix commented Jan 9, 2025

@mphoward, I think I've fully sorted out making sure that r & theta are used appropriately. Let me know if you catch anything else!

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mphoward approved these changes Jan 10, 2025
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Thanks! I will commit these small edits and merge.

@mphoward mphoward merged commit 010d747 into main Jan 10, 2025
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@mphoward mphoward deleted the feature/angle-interactions branch January 10, 2025 21:12
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@clpetix @mphoward