symmetr.find_eq module

class symmetr.find_eq.confs

Bases: object

Class to store equivalent magnetic configurations and their response tensors.

Description:

self.nconfs is the number of configurations stored self.confs[i] is the configuration (stored as a dict) with number i self.Xs[i] is the tensor of the configuration i

Usage:

__init__ creates an empty object. Add a configuration by add(conf,X). Print all by pprint.

__dict__ = mappingproxy({'__module__': 'symmetr.find_eq', '__firstlineno__': 14, '__doc__': '\nClass to store equivalent magnetic configurations and their response tensors.\n\nDescription:\n    self.nconfs is the number of configurations stored\n    self.confs[i] is the configuration (stored as a dict) with number i\n    self.Xs[i] is the tensor of the configuration i\n\nUsage:\n    __init__ creates an empty object. \n    Add a configuration by add(conf,X).\n    Print all by pprint.\n', '__init__': <function confs.__init__>, 'add': <function confs.add>, 'is_in': <function confs.is_in>, 'pprint': <function confs.pprint>, 'convert': <function confs.convert>, '__static_attributes__': ('Xs', 'confs', 'nconfs'), '__dict__': <attribute '__dict__' of 'confs' objects>, '__weakref__': <attribute '__weakref__' of 'confs' objects>, '__annotations__': {}})

__firstlineno__ = 14

__init__()

Creates an empty confs object.

__module__ = 'symmetr.find_eq'

__static_attributes__ = ('Xs', 'confs', 'nconfs')

add(conf, X)

Adds a new configuration.

Parameters:

• conf (dictionary) – The magnetic configuration: {atom number: magnetic moment}

• X – The tensor of that configuration

convert(T, shift)

is_in(conf)

pprint(eo=None, m=-1, latex=False, print_format=None)

symmetr.find_eq.find_equiv(Xs, mag, syms, atom, debug=False, round_prec=None)

Takes a tensor and a list of nonmagnetic symmetries and find the form of the tensor for all equivalent configurations.

!!!Will only work if the same input basis was used for the nonmagnetic and magnetic!!!

Parameters:

• X – The tensor for the starting configuration.

• op1 – First operator type.

• op2 – Second operator type.

• atom – Sets a projection to an atom.

• syms – The nonmagnetic symmetry operations.

• mag – The magnetic moments - ie the starting configuration.

• T – is the transformation matrix from the nonmagnetic basis to the input basis

Returns:

Contains all the equivalent configurations and the transformed tensors for each.

Return type:

C (confs class)