/tools/willard-chandler
gitesei/willard-chandler
The Willard-Chandler Instantaneous Interface Calculator is a Python-based tool designed to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in slab geometry. It utilizes the marching cubes algorithm and is applicable for analyzing molecular dynamics data.
Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in slab geometry
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