allow functional specification in DictVaspInputSet
Documentation for previous commit (DictVaspInputSet)
Merge branch 'master' of github.com:materialsproject/pymatgen
Merge branch 'master' of github.com:materialsproject/pymatgen
Add change log.
Merge branch 'master' of github.com:materialsproject/pymatgen
Ensure that symbols read from POTCAR are correct before using them for
species assignment
Fxix tersoff code.
Add LDA potcars for test
Merge branch 'master' of github.com:materialsproject/pymatgen
More fixes to gulp_caller.
Merge branch 'master' of github.com:materialsproject/pymatgen
Add qok to get_energy_buckingham to allow for non-charge neutral cells.
Fix unequal coefficients bug.
Merge branch 'master' of github.com:materialsproject/pymatgen
Fix xrd bug. Fixes #90.
Update dev docs
Ability to specify 2theta range of data to be computed and reutrned in XRD.
Fixes #91.
Minor doc improvements.
Add a minor comment on computation of recip limit.