get_barrier

soda_analyzer.get_barrier(h5_lib, stateID, procID=0, directions=0)

Read a process activation barrier in the selected direction.

Parameters:

• h5_lib (h5py.File) – Open SODA HDF5 file. Keep it open while using views derived from it.

• stateID (int) – State identifier in /States.

• procID (int, optional) – Process identifier within the selected state. Default: 0.

• directions (int, optional) – Reaction direction: 0 for forward, 1 for reverse. Default: 0.

Returns:

float – Barrier in eV; unavailable data yields the legacy sentinel 999.