clease-gui 0.0.1rc1

CLuster Expansion in Atomistic Simulation Environment GUI

CLEASE GUI

This is a GUI based on Jupyter notebooks for CLEASE. For more information, head on over to the documentation.

Installation

The CLEASE GUI is available on PyPI:

$ pip install clease-gui

Running the GUI

The GUI is based on Jupyter notebooks. To launch a new notebook, do:

$ jupyter notebook

Create a new notebook that you want to work in, and a new cell, add the following lines:

from clease_gui import display_ui
display_ui()

A line %matplotlib notebook can be added at the start of the cell for nicer plots. However, this may come at a significant performance cost, so do your own testing.

Plot font sizes

All plots generated in this package are generated by the matplotlib package. However, the default font size in matplotlib can be rather small, so it can be adjusted globally, e.g. by running the following in a cell:

import matplotlib
matplotlib.rcParams.update({'font.size': 16})

This will also affect the font sizes on the figures generated in the GUI.