v3.0.6

• Cost analysis module (Anubhav Jain)
• More Py3k fixes.
• Extensive abinitio updates (Matteo).

v3.0.5

v3.0.5

• Completely revamped symmetry package. The finder.SymmetryFinder and
  pointgroup and spacegroup modules are now deprecated. Instead,
  all symmetry analysis is in the :module:pymatgen.symmetry.analyzer_
  module. There is also a completely rewritten support for symmetry groups in
  :module:pymatgen.symmetry.groups_. Structure now supports a static
  constructor to generate a structure from a spacegroup (see examples).
• BatteryAnalyzer class (Anubhav Jain) to provide for some common analysis of
  intercalation electrodes.
• Minor bug fixes for structure_matcher, lattice, abinitio.
• MOAB qadapter for abinit. (Liam Damewood)

v3.0.4

v3.0.4

• Fix missing structures json data.

v3.0.3

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.