espressomd / espresso

The ESPResSo package
https://espressomd.org
GNU General Public License v3.0
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LB: velocity updated missing in population and force setters #4934

Closed RudolfWeeber closed 1 day ago

RudolfWeeber commented 3 weeks ago

Setting populatoins and/or last_applied force changes the velocity of an LB site.

Our implementation caches the velocities in a velocity field, which is calculated during the LB update. An LB site's velocity field entry ahs to be updatd, when populaoitns or last_applied_force on that site are changed. This is currently missing. Among others, this results in an all-zero velocity field in the firt time step after restoring an LB from a checkpoint.