################################################################################ # # Physics # ################################################################################ # # This used to be called "Bits of Python for Physics", but that was starting # to annoy me when I was creating clones on my computers. So here we are. # The old title was a misnomer, because these code fragments/libraries # aren't actually all in python (to be honest, they aren't all about physics # either!). # # Mostly, the files here are for doing things like converting the outputs of # various electronic structure codes into inputs of other electronic structure # codes, or to formats readable by molecular viewer software. Codes of # particular focus are FHI-aims, Quantum Espresso and CASTEP, with the latter # two the subject of more recent work. # # Most things are written in Python for version 2.7 or above, and in many # cases numpy is required. Very rarely, scipy will also be needed. # # I am happy for other people to use and/or contribute to the codes here, with # the proviso that it is all GPLv3-licensed. See the COPYING file for more # details. # # Feedback, queries, comments should be sent to: # # kane dot odonnell at curtin dot edu dot au # # Alternatively, try searching for me on the web and don't get confused with the # Kane O'Donnell from New Zealand who ALSO happens to study condensed matter # physics. # # I'm the one from Australia! # # ################################################################################