v2.10.6

• Bug fix for np1.9 incompatibility. Now works.
• Use wheel for pymatgen deployments.
• matgenie.py is now renamed to pmg for faster CLI usage.
• Improvements to KPOINTS automatic generation.
• Simpler and faster Structure.get_all_neighbors

v2.10.5

v2.10.5

• DiffusionAnalyzer now has non

v2.10.3

1. MPRester.query now supports a simple but powerful string criteria syntax
   with support for wild cards.
2. Improvements to Composition - support for negative compositions, sorting etc.
3. Speed ups to StructureMatcher.

Bug fix release

1. Bug fix for Projected DOS parsing in new Vasprun.
2. Compatibility now has a explain method which provides a detailed outline
   of the changes that a Compatibility makes to an Entry.

Major new release with Materials API v2 support

1. Major update: MPRester now uses Materials API v2! Also major refactoring
   of MPRester.
2. Vastly improved Vasprun parser using cElementTree. Twice as fast,
   half as much code and easier to maintain.
3. Vast improvements to Qchem functionality (Xiaohui Qu).
4. Improved handling of Structure manipulations for extremely large
   structures (particularly in terms of memory consumption).
5. Bug fix for XYZ parsing for scientific notation.
6. Improve monty.serialization for transparent handling of JSON vs YAML.
   Requirements updated to monty>=0.3.3.
7. Update numpy requirements to 1.8+. Fixes memory leak.
8. Other minor bug fixes.

Defect transformations, optical properties and misc improvements.

1. Defect transformations (Bharat).
2. Support for optical properties (Geoffroy Hautier and David Waroquiers).
3. Improved support for some VASP output files (XDATCAR and OSZICAR).
4. Refactored compatibilities now uses YAML for ease of reading.

Bug fix release

1. Bug fix for get_xrd_plot.
2. Speed up XRD calculator by allowing specification of two theta ranges.
3. Minor improvements to Gulp caller.

Bug fix for XRD calculator and misc improvements.

1. Bug fix for unequal coefficients sizes in XRD.
2. Support for Ag radiation in XRD calculator.
3. Improved Procar class for extraction of information. (Germain Salvato Vallverdu)
4. Bug fix for extraction of GGA data from Materials API.

Improvements to XRDCalculator

1. XRDCalculator now supports disordered structures.
2. Minor speed ups and improvements.

Beta XRD calculator and dielectric constants

1. Initial beta version of XRD pattern calculator.
2. Pymatgen now uses spglib 1.6.0.
3. Update to Vasprun to compute static deilectric constants with DFPT in VASP.
   (Geoffroy Hautier)