Bugfix - it wasn't creating anisotropic barostat when it should have been
Merge branch 'master' of github.com:leeping/forcebalance
Added parameter deactivation option
Merge branch 'master' of github.com:leeping/forcebalance
Workaround OpenMM get_energy() issue.
Merge branch 'master' of github.com:leeping/forcebalance
Always add pgrad as an option.
Small improvements in parser
Experimental deactivation of switching function
Important OpenMM bugfix - set PBC vectors before setting positions.
Remove extra snapshot
Slightly faster vsite computation
Speed up setting virtual sites.
Fix variable name
Clean up
Fix syntax
Optimize get_dipoles() but there may be issues
Fix for optimization
Try: Do not explicitly set virtual sites at all
Added some timings for npt.py