RudolfWeeber
RudolfWeeber
rather than numerical ids, as it is required right now. This would include * renaming the `ids` property to `particles` or the like * writing a python wrapper for the...
When using a DPd interaction with a shape-based constraint, the RNG counter is incremented every time a particle is considered with the constraint. Depending on the location of the constraint,...
Analogous to the #5081. I think this can be achieved by passing cpu_openmp=True to the pystenciles_walberla.generate_pack_info... calls Might be worth it, since the halo communicaiotn takes a noticable fraction of...
* [ ] generate GPU versions of all kernels * [ ] Add a GPU version of the EK kernel traits template (additoinal template parameter), mark the exisitng one as...
## Background In preparation for shared-memory paralellism. There are many places in ESPResSo, where an action is taken for each particle in the system, where the action for each particle...
The time for creating a particle scales linearly in the number of mpi ranks for high core numbers (>~64) E.g 30 ms per particle creatoin (explicitly specifying the particle id)...
some contributions to stress tensor are not implemented, either in `system.analysis.pressure_tensor()` or in NPt instantaneous pressure * [ ] contribution for rattle (called "Rigid bond" in ESPResSo) * [ ]...
In preparation for shared memory parallelism. to thread might add forces/torques to the same particle at the same time. This would happen, for example, when calculating bonded forces in parallel....
The prototype is in my Github in the branch heffte * [X] Basic implementation of Hefte-based 3d FFt in electrostatic P3M * [ ] Get rid of segfaults for 2...