[docs]class ElF():
""" Class defining the electronic descriptors used by MLCF. ElF stands for ELectronic Fingerprint
Parameters
----------
value: dict or np.ndarray
value of descriptor can either be a complex (dict) or real (np.ndarray) tensor.
angles: np.ndarray (3)
angles by which ElF was rotated into local coordinate system (used to rotate forces into same CS).
basis: dict
basis for elf representation
species: str,
atomic species (element symbol)
unitcell: np.ndarray (3,3)
unitcell of the system (used by fold_back_coords during alingment)
"""
def __init__(self, value, angles, basis, species, unitcell):
self.value = value
self.angles = angles
self.basis = basis
self.species = species
self.unitcell = unitcell