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Add option to control epsilon scaling for Beutler soft-core#160

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lohedges merged 1 commit into
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fix_alchemical_epsilon
Jun 23, 2026
Merged

Add option to control epsilon scaling for Beutler soft-core#160
lohedges merged 1 commit into
develfrom
fix_alchemical_epsilon

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This PR adds a new beutler_fix_epsilon config option to control whether the LJ epsilon is scaled when using Beutler soft-core. The option is automatically set to False when alchemical ions are present, since epsilon needs to scale as normal for these atoms.

@lohedges lohedges added the bug Something isn't working label Jun 23, 2026
@lohedges lohedges merged commit fdad810 into devel Jun 23, 2026
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@lohedges lohedges deleted the fix_alchemical_epsilon branch June 23, 2026 11:17
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