atsim.potentials.referencedata._reference_data

Module Contents

Classes

Reference_Data(extra_data={})

Class providing data about atomic species

exception atsim.potentials.referencedata._reference_data.Reference_Data_Exception

Bases: Exception

Common base class for all non-exit exceptions.

exception atsim.potentials.referencedata._reference_data.Unknown_Species_Exception

Bases: atsim.potentials.referencedata._reference_data.Reference_Data_Exception

Common base class for all non-exit exceptions.

exception atsim.potentials.referencedata._reference_data.Unknown_Property_Exception

Bases: atsim.potentials.referencedata._reference_data.Reference_Data_Exception

Common base class for all non-exit exceptions.

class atsim.potentials.referencedata._reference_data.Reference_Data(extra_data={})

Bases: object

Class providing data about atomic species

get(self, species, property_name)

Get a property value for a given species.

Parameters:

• species – Species label.
• property_name – Propety identifier.

Returns:

Property value for given combination of species and property name.