magnopy.SpinHamiltonian#

class magnopy.SpinHamiltonian(cell, atoms, convention, units='meV')[source]#

Spin Hamiltonian.

Parameters:

conventionConvention or str: A convention of the spin Hamiltonian. See Convention for more details.
cell(3, 3) array-like: Matrix of a cell, rows are interpreted as vectors. See Cell for more details.
atomsdict: Dictionary with atoms. See Atoms/Sites for more details.
unitsstr, default "meV": Added in version 0.3.0.

Units of the Hamiltonian's parameters. See SpinHamiltonian.units for more details. Case-insensitive.

Examples

Methods

`add`(nus, alphas, parameter[, units, ...])	Adds any parameter with at most four components of spin operator to the Hamiltonian.
`add_1`(alpha, parameter[, units, when_present])	Adds a parameter of one spin & one site term of the Hamiltonian (partition 1).
`add_21`(alpha, parameter[, units, when_present])	Adds a parameter of two spins & one site term of the Hamiltonian (partition 2+0).
`add_22`(alpha, beta, nu, parameter[, units, ...])	Adds a parameter of two spins & two sites term of the Hamiltonian (partition 1+1).
`add_31`(alpha, parameter[, units, when_present])	Adds a parameter of three spins & one site term of the Hamiltonian (partition 3+0+0).
`add_41`(alpha, parameter[, units, when_present])	Adds a parameter of four spins & one site term of the Hamiltonian (partition 4+0+0+0).
`add_dipole_dipole`([R_cut, E_cut, alphas])	Adds magnetic dipole dipole interaction to the Hamiltonian.
`add_magnetic_field`([B, alphas, h])	Adds external magnetic field to the Hamiltonian.
`copy`()	Returns a new, independent copy of the same Hamiltonian.
`get_empty`()	Returns the Hamiltonian with the same cell, atoms, units and convention, but with no parameters present.
`parameters`([n, p_n])	Returns an iterator over parameters of the Hamiltonian.
`purge`([tolerance])	Removes parameters of the Hamiltonian that are smaller than the given tolerance.
`remove`(nus, alphas[, remove_equivalent])	Removes any parameter with at most four components of spin operator from the Hamiltonian.
`remove_1`(alpha)	Removes a parameter of one spin & one site term of the Hamiltonian (partition 1).
`remove_21`(alpha)	Removes a parameter of two spins & one site term of the Hamiltonian (partition 2+0).
`remove_22`(alpha, beta, nu)	Removes a parameter of two spins & two sites term of the Hamiltonian (partition 1+1).
`remove_31`(alpha)	Removes a parameter of three spins & one site term of the Hamiltonian (partition 3+0+0).
`remove_41`(alpha)	Removes a parameter of four spins & one site term of the Hamiltonian (partition 4+0+0+0).
`restore_missing_parameters`([strategy])	Checks that all interactions from the equivalent sets are present in the Hamiltonian and adds the missing ones (if any).
`set_distribution`([strategy])	Enforces one of the supported distributions of parameters within the sets of equivalent parameters.
`set_magnetic_field`([B, alphas])	Sets a uniform external magnetic field applied to the Hamiltonian.
`symmetrize`()	Symmetrize interaction parameters as specified in the SI note 3 of paper about Magnopy.

Properties

`M`	Amount of magnetic atoms in the unit cell.
`M_prime`	Amount of atoms in the unit cell.
`atoms`	Atoms of the crystal on which the Hamiltonian is build.
`cell`	Cell of the crystal on which the Hamiltonian is build.
`convention`	Convention of the spin Hamiltonian.
`magnetic_atoms`	Magnetic atoms of the spin Hamiltonian.
`magnetic_field`	External magnetic field applied to the Hamiltonian.
`map_to_all`	Index map from magnetic atoms to all atoms.
`map_to_magnetic`	Index map from all atoms to the magnetic ones.
`p1`	Parameters of one spin & one site term of the Hamiltonian (( 1 ) terms).
`p21`	Parameters of two spins & one site term of the Hamiltonian ((2, 1) terms).
`p22`	Parameters of two spins & two sites term of the Hamiltonian ((2, 2) terms).
`p31`	Parameters of three spins & one site term of the Hamiltonian ((3, 1) terms).
`p32`	Parameters of three spins & two sites term of the Hamiltonian ((3, 2) terms).
`p33`	Parameters of three spins & three sites term of the Hamiltonian ((3, 3) terms).
`p41`	Parameters of four spins & one site term of the Hamiltonian ((4, 1) terms).
`p42`	Parameters of four spins & two sites term of the Hamiltonian ((4, 2) terms).
`p43`	Parameters of four spins & two sites term of the Hamiltonian ((4, 3) terms).
`p44`	Parameters of four spins & three sites term of the Hamiltonian ((4, 4) terms).
`p45`	Parameters of four spins & four sites term of the Hamiltonian ((4, 5) terms).
`units`	Units of the Hamiltonian's interaction parameters.
`zeeman_parameters`	Returns an iterator over Zeeman parameters of the Hamiltonian.