RudolfWeeber
RudolfWeeber
# Structure, LB coupling * EK and LB can each be used independently but also in combination * If used in combination, the LB velocity field is passed into EK,...
Current status: * All LB features except pressure tensor are in * Pressure tensor can be merged as soon as corresponding PR in PbmPy and Walberla are merged * Electrokinetics...
Goal: Algorithms that rely on specific cell structures should check for them either at the point where the method is called or (if that's impractical) in a sanity check on...
For MC simulations. Currently, the full energy needs to be calculated, even for single particle MC moves
On the mailing list, interest was expressed in the Irving Kirkwood local stress tensor: https://espressomd.github.io/doc4.0.2/analysis.html#local-stress-tensor The implmentation was rmoved in 4.1, since it was incorrect. A reimplementation using current infrastructure...
The pull-scheme (stream-collide) is already used for Lees-Edwards. It should be used everywhere, and the combined stream-collide kernel should be used rathan individual ones. If this should not be possible...
Work in progress. * Propagation is controlled per particle by a flag called `propagation`. This can be SYSTEM_DEFAULT, VIRTUALSITES_RELATIVE or INERTIALESS_TRACERS. * When SYSTEM_DEFAULT is set, the system's integrator settings...
@sgekle, @fweik The CPU implementation likely misses part of the forces contributed by constraints and the ext_force property of particls close to node boundaries, both the actual particles and its...