ase-weas-widget 0.1.0

Visualizer plugin to use ase with weas-widget

ase-weas-widget

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Table of Contents

• ase-weas-widget
  • Table of Contents
  • Installation
  • Usage
  • License

Installation

pip install ase-weas-widget

Usage

This plugin allows viewing ase.Atoms object using ase.visualize.view via the weas-widget in a notebook environment:

from ase.build import bulk
from ase.visualize import view
atoms = bulk('Si', 'diamond', 5.4)
view(atoms.repeat((2,2,2)), viewer='weas')

Output example:

The appearance of the resulting plot can be customized with a callback function that modifies the underlying WeasWidget object:

def callback(viewer):
    """Callback to customize the WeasWidget object"""
    viewer.avr.model_style = 1
    viewer.avr.show_bonded_atoms = True
    viewer.avr.color_type = "VESTA"
    
atoms = bulk('Si', 'diamond', 5.4)
view(atoms.repeat((2,2,2)), viewer='weas', callback=callback)

Output example:

Please refer to the documentation of weas-widget for details.

License

ase-weas-widget is distributed under the terms of the MIT license.