* Extensive support for elasticity tensor analysis (Joseph Montoya). * Misc bug fixes and performance improvements. * Add support for QChem4.3 new format of Batch jobs
3.2.5
Not secure
* Improved potcar setup via "pmg setup", with MAPI setup. * Support for new POTCARs issued by VASP. * Improvements to ABINIT support. * Improvement to Boltztrap support, e.g., scissor band gap, etc. * Vasprun now issues warning when unconverged run is detected.
3.2.4
Not secure
* GaussianOutput can now parse frequencies, normal modes and Cartesian forces (Xin Chen). * Support for Aiida<->pymatgen conversion by the Aiida development team (Andrius Merkys). * Specialized BSVasprun parser that is ~2-3x faster than Vasprun. * Refactor the boltztrap package (merge a few methods together) and add several new methods (power factor, seebeck...) * Support of the new PCM format in QChem 4.3 * Local environment analysis to pmg script. * Deprecate prettytable in favor of tabulate package. * Improvements to MITNEBVaspInputSet. * Misc bug fixes.
3.2.3
Not secure
* Massive update to abinit support. Note that pymatgen.io.abinitio has been refactored to pymatgen.io.abinit. (Matteo, Setten) * NwOutput now supports parsing of Hessian matrices (contributed by Xin Chen) * Gaussian support now has the ability to read potential energy surface and electronic transitions computed with TD-DFT (Germain Salvato Vallverdu) * Bug fixes for CifWriter with symmetry. * Bug fixes for surface generation and reactions. * Monty requirement increased.
3.2.1
Not secure
* Fix wrong U value for Ce and Eu. * Properly handle empty multiline strings in Cif * Add ability to get specific data in MPRester.get_entries. Make all get_entry methods consistent in kwargs.
3.2.0
Not secure
* Force conversion to an actual list in selective dynamics and velocities in Poscar. * fix small bug in BSPlotter (wrong ylim) * Elastic tensor parsing in Outcar