In this assignment you will write a Python program that expands on http://www.py4e.com/code3/urllinks.py. The program will use urllib to read the HTML from the data ...
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 ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results