mag4.constants

Physical constants and shared data structures.

Module Attributes

`KB_MEV`	Boltzmann constant in meV / K.
`DIST_EQUIV_TOL`	Default tolerance (Å) for merging equivalent M–M distances into the same J shell.

Functions

`next_config_idx`()	Monotonically increasing integer used to tag `FourStateConfig`.
`reset_config_counter`()	Reset the global counter — useful when running several pipelines in one process.

Classes

`CrystalData`(cell, all_species, ...)
`Dimer`(idx_a, idx_b, label_a, label_b, ...)
`FourStateConfig`(idx, coupling_name, ...)

mag4.constants.KB_MEV: float = 0.08617333262: Boltzmann constant in meV / K.

mag4.constants.DIST_EQUIV_TOL: float = 0.01: Default tolerance (Å) for merging equivalent M–M distances into the same J shell.

class mag4.constants.CrystalData(cell, all_species, target_species, nb_species, total_atoms, elements, lattice_matrix, lattice_vectors)

Bases: tuple

all_species: Alias for field number 1

cell: Alias for field number 0

elements: Alias for field number 5

lattice_matrix: Alias for field number 6

lattice_vectors: Alias for field number 7

nb_species: Alias for field number 3

target_species: Alias for field number 2

total_atoms: Alias for field number 4

class mag4.constants.Dimer(idx_a, idx_b, label_a, label_b, distance, coupling_name)

Bases: tuple

coupling_name: Alias for field number 5

distance: Alias for field number 4

idx_a: Alias for field number 0

idx_b: Alias for field number 1

label_a: Alias for field number 2

label_b: Alias for field number 3

class mag4.constants.FourStateConfig(idx, coupling_name, state_label, spin_vector, dimer)

Bases: tuple

coupling_name: Alias for field number 1

dimer: Alias for field number 4

idx: Alias for field number 0

spin_vector: Alias for field number 3

state_label: Alias for field number 2

mag4.constants.next_config_idx()[source]

Monotonically increasing integer used to tag FourStateConfig.

Return type:: int

mag4.constants.reset_config_counter()[source]

Reset the global counter — useful when running several pipelines in one process.

Return type:: None