Various ways to analyze and visualize solvation shells, and atomic systems. Meant primarily for analyzing the outputs produced by LAMMPS, but would work with most things compatible with ASE.
On my local Archlinux machine, all the tests worked. However, it turns out that on the CI, for Linux, you also need to install xvfb and some more packages. Then pytest works. The hacky workaround of skipping the problematic test is no longer required
On my local Archlinux machine, all the tests worked. However, it turns out that on the CI, for Linux, you also need to install
xvfband some more packages. Thenpytestworks. The hacky workaround of skipping the problematic test is no longer required