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Fix issue #28#29

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lohedges merged 1 commit into
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fix_28
Jul 22, 2026
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Fix issue #28#29
lohedges merged 1 commit into
develfrom
fix_28

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This PR closes #28 by restricting the PME energy calculation to the required force groups. This ensures that the groups are used by the integrator and only selects the NonbondedForce and (optionally) the GhostNonGhostNonbondedForce that are modified by the insertion/deletion moves.

@lohedges lohedges added bug Something isn't working enhancement New feature or request labels Jul 22, 2026
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lohedges merged commit 8bae080 into devel Jul 22, 2026
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lohedges deleted the fix_28 branch July 25, 2026 14:47
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Restrict PME energy calculation to integration force groups

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