Visualisation of Energies from a Transition-State (NEB) Search using Terachem

This python ( script ( can be used for parsing the neb_*.xyz ouput geometries (where * is the geometry frame number) from a nudged elastic band (NEB) ‘transition-state’ search in Terachem ( It extracts the energies (in Hartrees) for each frame from the xyz files and plots them using matplotlib ( for quick viewing.