New feature: Willard-Chandler surface atoms

Marcello-Sega / pytim

a python package for the interfacial analysis of molecular simulations

https://marcello-sega.github.io/pytim/

GNU General Public License v3.0

78 stars 34 forks source link

Open Marcello-Sega opened 6 days ago

Marcello-Sega commented 6 days ago

Atoms within a certain distance from the isosurface will be tagged as surface atoms.