v3.0.3

• Updates to DiffusionAnalyzer for more fine

v3.0.2

1. Consistent use of unicode throughout pymatgen.
2. Minor bug fixes.

v3.0.1

v3.0.1

1. Minor bug fixes for cifio.
2. Py3k updates for abinitio.

v3.0.0

v3.0.0

• Pymatgen is now completely Python 2.7 and Python 3.x compatible!
• Spglib and pyhull have been updated to support Python 3.x.
• Completely rewritten pure python cifio module (courtesy of William Davidson
  Richards) removed dependency on PyCIFRW, which has been causing many issues
  with installation.
• Structure and Molecule now supports a very convenient to() and from_str and
  from_file functionality. Instead of trying to load the appropriate parser,
  you can output and read from the appropriate formats directly. See example
  usage.
• ~50% speedup to LinearAssignment code.
• Continuous integration and contribution guidelines now include Python 3.
• Backwards incompatible changes
• matgenie.py has now been renamed simply "pmg" for brevity.
• All deprecated methods in pymatgen 2.x have been removed. E.g.,
  pymatgen.core.structure_modifier is no longer available.
• Pymatgen classes now uses the as_dict() method protocol implemented in the
  Monty package. The to_dict property is now deprecated and will be removed
  in pymatgen v3.1.
• Update main docs page examples with the new Structure to, from formats.

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.