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================ 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
================ 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