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'
Or set your own materials by setting the bsdf_inputs dict.
>>> h2o['H'].materials = {'Metallic': 0.9, 'Specular': 1.0, 'Roughness': 0.01}