Reads orca output streams (.out/.log/.hess) Can read frequencies, atoms, coordinates, IR spectra, free energy (broken down into its components as well) Can also tell you how the job finished, if it ...
dump and dumps now return an OrderedDict, in Pythons before 3.7 or in IronPython which should preserve the order of entries (other than listing the root table entries first). integers and floats can ...