Visualisation of Energies from Geometry Optimisations using TeraChem

This python (python.org) script (geoopt_energies.py) can be used for parsing the geometry.xyz ouput geometries (typically optim.xyz) from a geometry optimisation in Terachem (petachem.com). It extracts the energies (in Hartrees) for each frame from the xyz file and plots them using matplotlib (matplotlib.org), for quick viewing.

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