Quantities

spirit.quantities.get_htst_prefactor(p_state, idx_image_minimum, idx_image_sp, idx_chain=-1)

Calculates and returns the HTST rate prefactor.

spirit.quantities.get_magnetization(p_state, idx_image=-1, idx_chain=-1)

Calculates and returns the average magnetization of the system as an array of shape (3).

spirit.quantities.get_mmf_info(p_state, idx_image=-1, idx_chain=-1)

Returns a set of MMF information, meant mostly for testing or debugging.

• numpy.array_view of shape (NOS, 3) of the energy gradient
• the lowest eigenvalue
• numpy.array_view of shape (NOS, 3) of the eigenmode
• numpy.array_view of shape (NOS, 3) of the force

spirit.quantities.get_topological_charge(p_state, idx_image=-1, idx_chain=-1)

Calculates and returns the total topological charge of 2D systems.

Note that the charge can take unphysical non-integer values for open boundaries, because it is not well-defined in this case.

Returns 0 for systems of other dimensionality.