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Add ring-break/make softcore force#148

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lohedges merged 4 commits into
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feature_ring_break_softcore
May 13, 2026
Merged

Add ring-break/make softcore force#148
lohedges merged 4 commits into
develfrom
feature_ring_break_softcore

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This PR exposes the ring-break/make softcore force lever in the ring-breaking/making schedules. The schedule weights have also been adjusted to weight the morph / ring-opening stage more. Large changes in nonbonded terms lead to poor overlap at the schedule boundaries, so it is good to make this transition smoother.

@lohedges lohedges added enhancement New feature or request cresset Related to work with Cresset labels May 13, 2026
@lohedges lohedges merged commit a44f9ce into devel May 13, 2026
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@lohedges lohedges deleted the feature_ring_break_softcore branch May 13, 2026 16:01
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