RudolfWeeber
RudolfWeeber
https://github.com/acdemiralp/mpi This would allow us to get rid of the boost::mpi dependency, which is responsible for a lot of the build hesdaches on hpc systems, conda, pip and friends. We...
The instructions fro adding bonds ask to implement get_struct() for the script interface class of the bond. However, this is now centralized in BondedInteractionImpl. At least other bonds like Fene...
The Le velocity shift is added if the particle distance in shear normal direction is > 0.5 length_half() The 0.5 is suspicious.
the documentation of the design of the System class https://espressomd.github.io/dox/SystemClassDesign.html in its current form contains quite a few technical C++ terms. As this is a key place for extending Espresso,...
* [ ] Cluster analysis should make use of the short range loop for neighbor finding, if the cutoff is short enough * [ ] add a cutoff() function to...
It should be possible to find out * if only pairwise central forces are active (for struct-of-arrays based force calculation) * What is the maximum required cutoff for a given...
the incompatibility checks in the cluster analsys are too broad for Lees Edwards boudnary conditions. Identifying clusters should work, as far as I understand, just the per-cluster observables such as...
api change
The integraiotn loop consist of the following sweeps: * pull (stream) * collide * update velocity field from pdfs * ghost communicatoin