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Do not integrate z translational motion in 2D simulations. #1907

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joaander opened this issue Oct 4, 2024 · 0 comments

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joaander commented Oct 4, 2024

Description

Change all MD integrators to set Fz = 0 in 2D simulations.

Motivation and context

This matches their behavior with rotational degrees of freedom. Not all forces are numerically accurate enough to provide exactly Fz = 0: #1903.

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