look4bas: Small script to search for Gaussian basis sets

In the past couple of days I hacked together a small Python script, which searches through the EMSL basis set exchange library of Gaussian basis sets via the commandline.

Unlike the webinterface it allows to use grep-like regular expressions for matching the names and descriptions of the basis sets. Of course limiting the selection by requiring basis functions for specific elements to be defined is possible as well.

All matching basis sets can be easily downloaded at once. Right now only downloading the basis set files in Gaussian94 format is implemented, however.

The code, further information and some examples can be found on https://github.com/mfherbst/look4bas.