pele.storage.Database.add_property

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

add a system property to the database

Parameters:

namestring

the name of the property

valueobject

the value of the property

dtypestring

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.