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glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
http://glotzerlab.engin.umich.edu/hoomd-blue
BSD 3-Clause "New" or "Revised" License
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Do not integrate z translational motion in 2D simulations. #1907

Open joaander opened 1 month ago

joaander commented 1 month ago

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.