orca-helpers merge requestshttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests2021-04-27T15:07:21Zhttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/4Error handling loewdin2021-04-27T15:07:21ZbfloeseError handling loewdinSample of error handling for the case that an invalid atom type is given resulting in a ValueError.
Also I snuck in printing in place because that seemed like a reasonable thing the user would want.Sample of error handling for the case that an invalid atom type is given resulting in a ValueError.
Also I snuck in printing in place because that seemed like a reasonable thing the user would want.bfloesebfloese