Pymatgen

* Neutron diffraciton calculator (Yuta)
* Non-existent electronegativity (e.g., He and Ne) are now returned as NaN
instead of infinity.
* CifParser now handles Elements that are in all caps, which is found in some
databases. (Gpretto)
* Improvements to local_env (Anubhav Jain)
* Improvements to Qchem ()
* Inputs sets for NMR (Shyam)
* New ChargeDensityAnalyzer class to find interstitial sites from charge density (Hanmei)

* Updated Debye temperature formulation (Joey Montoya)
* Add bandgap option for FermiDos for scissoring (Alireza Faghaninia)
* Improved Pourbaix code (Joey Montoya)
* Local env code improvements (Nils)

* Bug fixes to structure, phase diagram module, enumlib adaptor, local env analysis.

* ReactionDiagram for calculating possible reactions between two compositions.
* Misc bug fixes for EnumlibAdaptor and MagOrderingTransformation

* Support for VESTA lattice vector definitions.
* GaussianOutput read now bond_orders of a NBO calculations (gVallverdu)
* Bug fixes to phonons, abinit support.

* Various algorithms for nearest neighbor analysis (Hillary Pan)
* Cleanup of local_env modules (Nils)
* Enhancements to surface packages (Richard)
* Misc bud fixes