fix
Merge branch 'master' of git@github.com:tfgg/castepy
add proper hashbang to top of scripts
Merge pull request #4 from ccp9-community/master

Merge pull request #1 from tfgg/master
fix task-relax
Merge branch 'master' of github.com:tfgg/castepy
update nmr template and potentials input routines to allow selection between different otfg packages.
Merge pull request #2 from tfgg/master

Merge latest