The Species object

The Species object is a collection of species. Here is how to define a H2O molecule:

Possible keywords for a species are: scale, color, materials, material_style.

>>> h2o['H'].scale = 1.5
>>> h2o['H'].color = [1, 1, 0, 0.5]

Material style

Set materials style for atoms. Select materials style from [‘default’, ‘glass’, ‘ceramic’, ‘plastic’, ‘mirror’].

>>> h2o['O'].material_style = 'mirror'
>>> h2o['H'].material_style = 'mirror'
../_images/h2o-mirror.png

Or set your own materials by setting the bsdf_inputs dict.

>>> h2o['H'].materials = {'Metallic': 0.9, 'Specular': 1.0, 'Roughness': 0.01}