pyqmmm.qm.mechanism_plotter

Functions

format_plot()	General plotting parameters for the Kulik Lab.
generate_plot(color_scheme)	Generate plot using processed data.
plot_group_energies(group_files, ref_energy, ...)	Process a group of related intermediate files and plot their energies.
process_xyz_files()	Process xyz files and generate plot data.
read_energy_from_xyz(filename)	Extract energy values from an xyz file.
read_files()	Read xyz files and group them by base name.