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Add support for long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse()
- #18
#18
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OpenBioSim/loch:devel
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feature_lrc
OpenBioSim/loch:feature_lrc
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May 7, 2026
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Add support for long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse()
#18
lohedges
merged 8 commits into
devel
OpenBioSim/loch:devel
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feature_lrc
OpenBioSim/loch:feature_lrc
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Commits on Apr 29, 2026
Add support for long-range LJ dispersion correction.
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Commits on Apr 30, 2026
Add Beutler soft-core form for ABFE.
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Commits on May 1, 2026
Optimise softcore.
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Commits on May 6, 2026
Recombine ghost nonbonded forces for performance.
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Use Beutler LJ soft-core for decoupling and add support for LRC.
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Commits on May 7, 2026
Reverse lambda schedule when swap_end_states=True.
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Merge branch 'devel' into feature_lrc.
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Update CHANGELOG.
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