v3.1.2

• HHI Resource Analysis (by Anubhav Jain).
• Bug fixes for surfaces normalizatino.
• Bug fix for Vasprun parsing of response function keys.
• Dockerfile for generation of an image for pymatgen.
• Updated requirements.txt for latest requests, scipy, numpy.

v3.1.1

• Bug fixes for SpacegroupAnalyzer and SlabGenerator.
• Much faster normal vec search.

v3.1.0

• Much improved surface generation algorithm that provides for
  orthogonality constraints.
• Transition state analysis tools! (beta)
• Massive improvements in Outcar parsing which provides a powerful grepping
  syntax.
• PWSCFInput generation (beta).
• Reduce default SIGMA to 0.05 for MP input sets.
• Update spglib to 1.7.3 as per recommendation of Togo.
• Many bug fixes and efficiency improvements.

v3.0.13

• Bug fix for parsing certain types of CIFs.
• MPRester now has get_materials_id_references helper method.
• Minor fix for Vasprun.final_energy.
• Added mp_decode option to MPRester.query to allow option to not decode into
  pymatgen objects.
• New POTCAR hash scheme to more robustly identify unique POTCARs.
• Link to http://bit.ly/materialsapi for information on Materials API
  document schema for use with MPRester.query method.

v3.0.11

v3.0.10

• Fix cartesian coord parsing in Poscar class.
• Vasprun now works with non

v3.0.9

• Major bug fixes for CIF parsing (Will Richards).
• Support for {Li,Na} syntax in parse_criteria for MPRester.
• Additional example notebook for ordering and enumeration.
• More robust checking for oxidation states in EnumerateStructureTRansformation.
• Improvements to Slab polarity checking.

v3.0.8

v3.0.8

• Massive update to abinitio (Matteo).
• Improvements to OUTCAR parsing (Ioannis Petousis).

v3.0.7

v3.0.7

• Powerful Slab generation algorithms (beta!).
• Improvements to DiffusionAnalyzer with constant smoothing option.
• Significantly improve look of DOS plots using prettyplotlib.

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