ENH: Update CASTEP I/O
A series of bug corrections and enhancements to bring the CASTEP I/O and calculator up to date with the most recent versions of the software.
Do not update/delete: Banner broadcast message test data
Do not update/delete: Notification broadcast message test data
A series of bug corrections and enhancements to bring the CASTEP I/O and calculator up to date with the most recent versions of the software.