IPKM/mdevaluate
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apply selection and scaling with current box after delta in jumps has been cached or calculated directly. this should fix using nojump on NPT simulations #6

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robin wants to merge 2 commits from fix/nojump_and_npt_caching into main
pull from: fix/nojump_and_npt_caching
merge into: IPKM:main
Conversation 0 Commits 2 Files Changed 1 +9 -20

2 Commits

Author SHA1 Message Date
robrobo
9ff3badab1 have to wrap delta with np.array to make sure it is ndarray and result stays CoordinateFrame 2025-08-14 16:33:37 +02:00
robrobo
492098fe01 apply selection and scaling with current box after delta in jumps has been cached or calculated directly. this should fix using nojump on NPT simulations 2025-08-09 16:11:24 +02:00