Installation

Required Python packages

• NumPy

• Gmsh

• meshio

• ase

• WulffPack

Additionnal requirement

• Atomsk

Download the code

git clone git@github.com:jamodeo12/Pyrough.git

Run Pyrough

This command line will enable to run Pyrough for the generation of 3D rough shape:

python Pyrough.py path/to/the/file/input_file.json

Tu run the surface analysis process, simply add the -surface option, then the surface to analyse and the heights interval:

python Pyrough.py -surface Surf.png size zmin zmax