add in new-style atoms/ions classes
tests passing
remove ion.py (old ions) and add git hook to run tests on commit
remove magres scripts
add hashbang lines to a few scripts
remove magres_constants
add test for cell parser to run over all castep test cells
add ABC lattice support. clean up Cell some more
add tests for correctly parsed unit cell
add ability to read in comments from param files and tidy up cell
modernise output.bonds
add common function test to bonds
add docstrings to bonds.py
add notebook on convergence testing
remove accidently checked in test files
add another notebook and some nicer behviour for cell and parameter
Create README.md
conv test notebook update
Merge branch 'new_ions' of github.com:tfgg/castepy into new_ions
make parameter existence check case insensitive