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.
Changed the environment.yml file to include dependencies (twine). Currently, python3 -m build does not work unless you get a version of build which is less than 0.10.0. Therefore, this was changed in the environment.yml file as well.
Removed unused pandas import that was causing PyPI downloaded solvis to break.
solvis can be installed from PyPI (name: solvis-tools).
Changed URLs in the README so that they show up on PyPI.
environment.yml
file to include dependencies (twine
). Currently,python3 -m build
does not work unless you get a version ofbuild
which is less than 0.10.0. Therefore, this was changed in theenvironment.yml
file as well.pandas
import that was causing PyPI downloadedsolvis
to break.solvis
can be installed from PyPI (name:solvis-tools
).