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Region Potentials #1658

Merged
merged 12 commits into from
Sep 6, 2023
Merged

Region Potentials #1658

merged 12 commits into from
Sep 6, 2023

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trisyoungs
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This PR implements a new style of global potential based on a "region"-style method. Given some form of Expression describing a function in 3D space, energy and force terms are derived on a per-voxel basis. This allows complex or "interesting" formations to be constructed in a fairly natural manner.

The intention is not to necessarily provide a "proper" potential / simulation, but rather to help enforce exotic structural features.

@trisyoungs trisyoungs marked this pull request as ready for review September 6, 2023 08:13
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@jws-1 jws-1 left a comment

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Code looks good, and the functionality works very nicely! Couple of minor comments that aren't really related to this PR...

src/kernels/potentials/regional.cpp Show resolved Hide resolved
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@Danbr4d Danbr4d left a comment

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Looks good to me

@trisyoungs trisyoungs merged commit d5c9c1e into develop Sep 6, 2023
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@trisyoungs trisyoungs deleted the region-potentials branch September 6, 2023 14:05
rprospero pushed a commit that referenced this pull request Mar 11, 2024
rprospero pushed a commit that referenced this pull request Apr 8, 2024
rprospero pushed a commit that referenced this pull request Apr 9, 2024
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3 participants