RudolfWeeber
RudolfWeeber
* Updated build-dependencies and install dependencies * The package build is now run in a clean Ubuntu container to test build deps, then, the package is test-installed in a new...
Can the debain folder be placed somewhere else, e.g. under maintainer?
Thank you for the offer We were discussing inclusion in Debian/Ubuntu. While that would make it easy for new users, the rather long release cycle of Debian stable is an...
>I did not get the feeling that those are particularly high maintenance, is there some specific reason to get rid of them now? So we don’t spend work on refactoring...
This would be desirable. I guess the issue is that not all dependencies can be pip-installed. In the example you posted it was not obvious to me, how C++ library...
The Verlet criterion not being centralized, it is also diverged. In some instances skin/2, in others skin is used.
> can this be done with electrostatics? Up to a point, but I'm not going to do that near-term. E.g., you can reuse/update the P3M charge assignment and tune to...
The single energy calculation is also needed for efficient particle insertion/removal as in the Gibbs scheme.
Let’s do it in a “best effort” fashion and add checks for obvious nonsense such as negative radii. Whatever can be achieved in 1-2 hours. I agree with @fweik, that...
Particles within one agrid of a node- or domain boundary are affected. Between 1/2 and 7/8th of the forces are neglected, depending on whether the particle is next to a...