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Backtransform derivatives on symmetry particles

Open benmwebb opened this issue 9 years ago • 0 comments

core::TransformationSymmetry and core::TransformationAndReflectionSymmetry make sure that a particle P' is kept with its coordinates derived from a reference particle P (by transformation and optionally also reflection). However, any forces on P' are not mapped back to P. This would break MD, CG etc. on such a system. Investigate methods to perform this backtransform and provide an example.

benmwebb avatar Aug 05 '15 19:08 benmwebb