System¶
-
spirit.system.
get_effective_field
(p_state, idx_image=-1, idx_chain=-1)¶
-
spirit.system.
get_eigenmode
(p_state, idx_mode, idx_image=-1, idx_chain=-1)¶
-
spirit.system.
get_eigenvalues
(p_state, idx_image=-1, idx_chain=-1)¶
-
spirit.system.
get_energy
(p_state, idx_image=-1, idx_chain=-1)¶ Calculates and returns the energy of the system.
-
spirit.system.
get_index
(p_state)¶ Returns the index of the currently active image.
-
spirit.system.
get_nos
(p_state, idx_image=-1, idx_chain=-1)¶ Returns the number of spins (NOS).
-
spirit.system.
get_spin_directions
(p_state, idx_image=-1, idx_chain=-1)¶ Returns an numpy.array_view of shape (NOS, 3) with the components of each spins orientation vector.
Changing the contents of this array_view will have direct effect on calculations etc.
-
spirit.system.
print_energy_array
(p_state, idx_image=-1, idx_chain=-1)¶ Print the energy array of the state to the console.
-
spirit.system.
update_data
(p_state, idx_image=-1, idx_chain=-1)¶ TODO: document when this needs to be called.
-
spirit.system.
update_eigenmodes
(p_state, idx_image=-1, idx_chain=-1)¶ Calculates eigenmodes of a system according to EMA parameters. This needs to be called or eigenmodes need to be read in before they can be used by other functions (e.g. writing them to a file).