amorphize

amorphize(configuration, method, filename, object_id, amorphous_density=None, optimize_geometry_parameters=None)

Amorphizes the configuration using a particular method and saving the temporal results (for restarting or visualization) in filename

Parameters:
Returns:

An amorphized configuration

Return type:

BulkConfiguration

Notes

An example of using this class to create an amorphous structure (used later for diffusivity calculation) is available at Diffusivity calculation in amorphous materials.

Example

This function requires the specification of a particular method to produce the amorphous material:

method = MolecularDynamicsMeltQuench(amorphous_quality=0.75)
amorphous = amorphize(reference, method, 'amorphous-Si.hdf5', 'amorphous')