Initial commit of new SNL submission code for MAPI2.
Add unittest for SNL submit.
Merge branch 'master' into mapi2
Minor formatting changes.
Add check for elec steps in vasprun parsing converged.
add MP GGA VaspInputSet
Significant cleanup.
Yet more cleanup.
Still junking a lot more code.
More refactoring and code simplificaiton.
Remove useless GGA Config for MIT input set.
allow ~ to be used to specify vasp psp directory locations
Merge branch 'master' of github.com:materialsproject/pymatgen
Add editor method to strain a cell.
Beef up fit_anonymous of structure matcher to work with partial occupancies. So
now, you can map a partial occu to another partial occu, not just species.
Use func_tools total ordering. Beef up caching for Specie.
Fix unit tests.
Switch Site and Periodic Site to use Composition to represent species and
occupancy. This provides a lot more features, as well as enforcing the species
and occupancy to be immutable.
Fix unittests.
Minor style fixes.