Castep
Added some bugfixes for the CASTEP calculator. Moreover, adjusted IO routines to work nicely with new IO interface. Lastly, adjusted tests to no longer fail when CASTEP is not detected.
Do not update/delete: Banner broadcast message test data
Do not update/delete: Notification broadcast message test data
Added some bugfixes for the CASTEP calculator. Moreover, adjusted IO routines to work nicely with new IO interface. Lastly, adjusted tests to no longer fail when CASTEP is not detected.