pyqmmm.qm.orca_scan_plotter

Plots the results of an ORCA scan.

This script was difficult to write because of a strange matplotlib issue. No matter how I entered the data, maplotlib would autosort the x-axis. To fix this, I had to manually set the axes and add padding.

Functions

format_plot()	General plotting parameters for the Kulik Lab.
plot_energy(distances, relative_energies, ...)
read_orca_output(file_name)