radtools.SpinHamiltonian

class radtools.SpinHamiltonian(crystal: Crystal = None, notation=None, **kwargs)

Spin Hamiltonian.

By default the notation of the spin Hamiltonian is not defined and could be different in different context. However, in could always be checked via notation. In user-specific cases it is the responsibility of the user to set the interpretation of the Hamiltonian`s notation.

For the predefined notations see notation().

Child of the Crystal class.

Changed in version 0.8.0: Renamed from SpinHamiltonian to SpinHamiltonian.

Parameters:

crystalCrystal, optional

Crystal on which the spin Hamiltonian is build. By default it is cubic (\(a=1\)) lattice with no atoms.

notationstr or tuple of two bool and one float, optional

One of the predefined notations or tuple with custom notation. See notation for details.

**kwargs

Keyword arguments for the Crystal constructor.

Notes

You can still use the old name, but it is deprecated and will be removed in the future.

Methods:

add_atom([new_atom, relative])	Add atom to the crystal.
add_bond(atom1, atom2, R[, J])	Add one bond to the Hamiltonian.
converge_mag_dipdip_energy([start, step, ...])	Converge magnetic dipole-dipole energy.
ferromagnetic_energy([theta, phi])	Compute energy of the Hamiltonian assuming ferromagnetic state.
filter([max_distance, min_distance, ...])	Filter the exchange entries based on the given conditions.
filtered([max_distance, min_distance, ...])	Create filtered spin Hamiltonian based on the given conditions.
find_primitive_cell()	Detect primitive cell.
form_model(template)	Force the Hamiltonian to have the symmetries of the template.
formed_model(template)	Form the model from the Hamiltoian based on the template.
get_atom(name[, index, return_all])	Return atom object of the crystal.
get_atom_coordinates(atom[, R, index, relative])	Getter for the atom coordinates.
get_distance(atom1, atom2[, R, index1, ...])	Getter for distance between the atom1 and atom2.
get_vector(atom1, atom2[, R, index1, ...])	Getter for vector from atom1 to atom2.
input_for_magnons([nodmi, noaniso, custom_mask])	Input from the spin Hamiltonian.
lattice_points([relative, reciprocal, normalize])	Compute lattice points
mag_dipdip_energy(na, nb, nc[, progress_bar])	Computes magnetic dipole-dipole energy.
remove_atom(atom)	Remove magnetic atom from the Hamiltonian.
remove_bond(atom1, atom2, R)	Remove one bond from the Hamiltonian.
set_interpretation([double_counting, ...])	Set the interpretation of the Hamiltonian`s notation.
type([eps_rel])	Identify the lattice type.
voronoi_cell([reciprocal, normalize])	Computes Voronoi edges around (0,0,0) point.

Properties:

a	Length of the first lattice vector \(\vert\vec{a}_1\vert\).
a1	First lattice vector \(\vec{a}_1\).
a2	Second lattice vector \(\vec{a}_2\).
a3	Third lattice vector \(\vec{a}_3\).
alpha	Angle between second and third lattice vector.
b	Length of the second lattice vector \(\vert\vec{a}_2\vert\).
b1	First reciprocal lattice vector.
b2	Second reciprocal lattice vector.
b3	Third reciprocal lattice vector.
beta	Angle between first and third lattice vector.
c	Length of the third lattice vector \(\vert\vec{a}_3\vert\).
cell	Unit cell of the lattice.
cell_list	List of cells from the Hamiltonian.
centring_type	Centring type.
conv_a	Length of the first vector of the conventional cell.
conv_a1	First vector of the conventional cell.
conv_a2	Second vector of the conventional cell.
conv_a3	Third vector of the conventional cell.
conv_alpha	Angle between second and third conventional lattice vector.
conv_b	Length of the second vector of the conventional cell.
conv_beta	Angle between first and third conventional lattice vector.
conv_c	Length of the third vector of the conventional cell.
conv_cell	Conventional cell.
conv_gamma	Angle between first and second conventional lattice vector.
conv_parameters	Return conventional cell parameters.
conv_unit_cell_volume	Volume of the conventional unit cell.
crystal	Crystal of the Hamiltonian.
crystal_family	Crystal family.
double_counting	Whether double counting is present in the Hamiltonian.
eps	Epsilon parameter.
eps_rel	Relative epsilon
factor	Whether any factor is present in the Hamiltonian.
gamma	Angle between first and second lattice vector.
k_a	Length of the first reciprocal lattice vector \(\vert\vec{b}_1\vert\).
k_alpha	Angle between second and third reciprocal lattice vector.
k_b	Length of the second reciprocal lattice vector \(\vert\vec{b}_2\vert\).
k_beta	Angle between first and third reciprocal lattice vector.
k_c	Length of the third reciprocal lattice vector \(\vert\vec{b}_3\vert\).
k_gamma	Angle between first and second reciprocal lattice vector.
kpoints	Instance of Kpoints with the high symmetry points and path.
lattice	Lattice of the crystal.
magnetic_atoms	Magnetic atoms of the model.
name	Human-readable name of the Bravais lattice type.
notation	Tuple of the notation.
notation_string	Human-readable representation of the notation.
number_spins_in_unit_cell	Number of spins (or magnetic atoms) in the unit cell.
parameters	Return cell parameters.
pearson_symbol	Pearson symbol.
reciprocal_cell	Reciprocal cell.
reciprocal_cell_volume	Volume of the reciprocal cell.
reciprocal_parameters	Return reciprocal cell parameters.
space_dimensions	Model minimum and maximum coordinates in real space.
spin_normalized	Whether spin is normalized.
unit_cell_volume	Volume of the unit cell.
variation	Variation of the lattice, if any.