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Inaccurate kinetic energy in system with a custom force? #1754

Answered by joaander
ajw2023 asked this question in Support
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This is described in the documentation:

In Brownian dynamics, particle velocities and angular momenta are completely decoupled from positions. At each time step, Brownian draws a new velocity distribution consistent with the current set temperature so that hoomd.md.compute.ThermodynamicQuantities will report appropriate temperatures and pressures when logged or used by other methods.

Therefore, the kinetic energy reported by HOOMD-blue will always be thermally distributed on particles integrated by Brownian.

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