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Dfttk

0.2

================
  
  New features
  
  (Contributor: `bocklund`_ , Peng_Gao, `hitliaomq`_ )
  
  * The relax scheme is optimized. (from ``ISIF=3`` to ``ISIF=2`` followed by ``ISIF=4``) (Peng_Gao)
  * Change the static workflow to dynamic workflow. (``EVcheck_QHA.py`` increase the data points atomately if the fitting of initial points is incorrect) (Peng_Gao)
  * Support run dfttk by command. (Add ``dfttk run [options]``) (`hitliaomq`_)
  * Support configrate dfttk automately. (Add ``dfttk config [options]``) (`hitliaomq`_)
  * Documents' enhance. (`hitliaomq`_)
  * Bug fix. (Including `8`_ ) (`bocklund`_, Peng_Gao, `hitliaomq`_)
  
  .. _`8`: https://github.com/PhasesResearchLab/dfttk/issues/8

0.1

================
  
  Initial release. Includes
  
  (Contributor: `bocklund`_, `mxf469`_)
  
  * Gibbs workflow for stable structures
  * Analysis code and libraries for calculation quasiharmonic Gibbs energies with 0K, vibrational and thermal electronic contributions
  * Useful utilities for interfacing with structure, calculations and the Materials Project
  
  .. _`bocklund`: https://github.com/bocklund
  .. _`mxf469`: https://github.com/mxf469
  .. _`hitliaomq`: https://github.com/hitliaomq

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