* Improvements to BSDOSPlotter. * Enhancements to Phase diagram analysis and reaction calculator. * Enhancements to surface slab and adsorption. (Richard and Joey) * Support NpT ensemble in diffusion analysis.
4.6.2
Not secure
* Improve Spacegroup class support for alternative settings. Add a get_settings class method. * Improvements to FEFF support. * Improvements to EOS class.
4.6.1
Not secure
* Phonon bandstructure plotting and analysis. (Guido Petretto) * New capabilities for performing adsorption on slabs. (Joey Montoya) * Remove pathlib dependency.
4.6.0
Not secure
* Improve support for alternative settings in SpaceGroup. * Fix respect for user_incar_settings in MPNonSCFSet and MPSOCSet * Support for argcomplete in pmg script. * Speed ups to Ewald summation. * Add functionality to parse frequency dependent dielectric function. * Improvements to Bolztrap support.
4.5.7
Not secure
* PMG settings are now prefixed with PMG\_ to ensure proper namespacing. * Improve error output in command line bader caller. * Add Py3.6 classifier. * Misc bug fixes.