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@drroe drroe commented Jul 30, 2022

Version 6.13.0.

The previous imaging correction for the diffusion command kept track of a delta for each atom. This new correction just updates the position to be the non-imaged position for each at, similar to what unwrap does. Should be less susceptible to accumulation of error.

@drroe drroe self-assigned this Jul 30, 2022
@drroe drroe merged commit 3936b44 into Amber-MD:master Jul 31, 2022
@drroe drroe deleted the improve.diffusion.wrap.precision branch July 31, 2022 12:08
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