spirit.hamiltonian module

Set the parameters of the Heisenberg Hamiltonian, such as external field or exchange interaction.

class spirit.hamiltonian.BiaxialAnisotropyData(indices: ndarray, primary: ndarray, secondary: ndarray, site_p: ndarray, magnitude: ndarray, exponents: ndarray)

Bases: NamedTuple

Data describing the Biaxial Anisotropy interaction

Parameters:

  • indices – indices

  • primary – primary anisotropy axis

  • secondary – secondary anisotropy axis

  • site_p – offset array for site data in magnitude and exponents

  • magnitude – magnitude of the contribution

  • exponents – exponents of the contribution

exponents: ndarray

Alias for field number 5

indices: ndarray

Alias for field number 0

magnitude: ndarray

Alias for field number 4

primary: ndarray

Alias for field number 1

secondary: ndarray

Alias for field number 2

site_p: ndarray

Alias for field number 3

spirit.hamiltonian.CHIRALITY_BLOCH = 1

DMI Bloch chirality type for neighbour shells

spirit.hamiltonian.CHIRALITY_BLOCH_INVERSE = -1

DMI Bloch chirality type for neighbour shells with opposite sign

spirit.hamiltonian.CHIRALITY_NEEL = 2

DMI Neel chirality type for neighbour shells

spirit.hamiltonian.CHIRALITY_NEEL_INVERSE = -2

DMI Neel chirality type for neighbour shells with opposite sign

spirit.hamiltonian.DDI_METHOD_CUTOFF = 3

Dipole-dipole interaction: use a direct summation with a cutoff radius

spirit.hamiltonian.DDI_METHOD_FFT = 1

Dipole-dipole interaction: use FFT convolutions

spirit.hamiltonian.DDI_METHOD_FMM = 2

Dipole-dipole interaction: use a fast multipole method (FMM)

spirit.hamiltonian.DDI_METHOD_NONE = 0

Dipole-dipole interaction: do not calculate

spirit.hamiltonian.get_anisotropy(p_state, idx_image=-1, idx_chain=-1)

Get the magnetocrystalline anisotropy.

spirit.hamiltonian.get_biaxial_anisotropy(p_state, n_indices=None, n_terms=None, idx_image=-1, idx_chain=-1)

Get the data representing the biaxial anisotropy.

spirit.hamiltonian.get_biaxial_anisotropy_n_atoms(p_state, idx_image=-1, idx_chain=-1)

Get the number of atoms for which a biaxial anisotropy is defined.

spirit.hamiltonian.get_biaxial_anisotropy_n_terms(p_state, idx_image=-1, idx_chain=-1)

Get the number of terms that contribute to the biaxial anisotropy.

spirit.hamiltonian.get_boundary_conditions(p_state, idx_image=-1, idx_chain=-1)

Deprecated since version 3.0.0: Use spirit.geometry.get_boundary_conditions() instead.

Returns an array of shape(3) containing the boundary conditions in the three translation directions [a, b, c] of the lattice.

spirit.hamiltonian.get_cubic_anisotropy(p_state, idx_image=-1, idx_chain=-1)

Set the cubic magnetocrystalline anisotropy.

spirit.hamiltonian.get_ddi(p_state, idx_image=-1, idx_chain=-1)

Returns a dictionary, containing information about the used ddi settings

spirit.hamiltonian.get_field(p_state, idx_image=-1, idx_chain=-1)

Returns the magnitude and an array of shape(3) containing the direction of the external magnetic field.

spirit.hamiltonian.get_name(p_state, idx_image=-1, idx_chain=-1)

Returns a string containing the name of the Hamiltonian currently in use.

spirit.hamiltonian.set_anisotropy(p_state, magnitude, normal, idx_image=-1, idx_chain=-1)

Set the (homogeneous) magnetocrystalline anisotropy.

spirit.hamiltonian.set_biaxial_anisotropy(p_state, magnitude, exponents, primary, secondary, n_terms=None, idx_image=-1, idx_chain=-1)

Set the (homogeneous) biaxial magnetocrystalline anisotropy.

spirit.hamiltonian.set_boundary_conditions(p_state, boundaries, idx_image=-1, idx_chain=-1)

Deprecated since version 3.0.0: Use spirit.geometry.set_boundary_conditions() instead.

Set the boundary conditions along the translation directions [a, b, c].

0 = open, 1 = periodical

spirit.hamiltonian.set_cubic_anisotropy(p_state, magnitude, idx_image=-1, idx_chain=-1)

Set the (homogeneous) magnetocrystalline anisotropy.

spirit.hamiltonian.set_ddi(p_state, ddi_method, n_periodic_images=[4, 4, 4], radius=0.0, pb_zero_padding=True, idx_image=-1, idx_chain=-1)

Set the dipolar interaction calculation method.

  • ddi_method: one of the integers defined above

  • n_periodic_images: the number of periodical images in the three translation directions, taken into account when boundaries in the corresponding direction are periodical

  • radius: the cutoff radius for the direct summation method

  • pb_zero_padding: if True zero padding is used for periodical directions

spirit.hamiltonian.set_dmi(p_state, n_shells, D_ij, chirality=1, idx_image=-1, idx_chain=-1)

Set the Dzyaloshinskii-Moriya interaction in terms of neighbour shells.

spirit.hamiltonian.set_exchange(p_state, n_shells, J_ij, idx_image=-1, idx_chain=-1)

Set the Exchange interaction in terms of neighbour shells.

spirit.hamiltonian.set_field(p_state, magnitude, direction, idx_image=-1, idx_chain=-1)

Set the (homogeneous) external magnetic field.

spirit.hamiltonian.write_hessian(p_state, filename, triplet_format=True, idx_image=-1, idx_chain=-1)

RWrites the embedding Hessian to a file