Papers › On the Estimation of Centre of Mass in Periodic Systems
On the Estimation of Centre of Mass in Periodic Systems
Harry Richardson, Josh Dunn, Andrew R. McCluskey
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
Calculation of the centre of mass of a group of particles in a periodically-repeating cell is an important aspect of chemical and physical simulation. One popular approach calculates the centre of mass via the projection of the individual particles' coordinates onto a circle [Bai \& Breen, \emph{J. Graph. Tools}, \textbf{13}(4), 53, (2008)]. However, this approach involves averaging of the particles in a non-physically meaningful way resulting in inaccurate centres of mass. Instead the intrinsic weighted average should be computed, but the analytical calculation of this is computationally expensive and complex. Here, we propose a more computationally efficient approach to compute the intrinsic mean that is suitable for the majority of chemical systems.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections