pele.storage.Database.add_property

Database.add_property(name, value, dtype=None, commit=True, overwrite=True)

add a system property to the database

Parameters :

name : string

the name of the property

value : object

the value of the property

dtype : string

the datatype of the property. This can be “int”, “float”, “string”, “pickle”, or None. If None, the datatype will be automatically determined.

This could anything, such as a potential parameter, the number of atoms, or the

list of frozen atoms. The properties can be stored as integers, floats,

strings, or a pickled object. Only one of the property value types

should be set for each property.

For a value of type “pickle”, pass the object you want pickled, not

the pickled object. We will do the pickling and unpickling for you.