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hitliaomq committed Mar 30, 2020
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@@ -7,28 +7,28 @@ Changelog

New features

(Contributor: @ bocklund_ , @Peng_Gao, @ hitliaomq_ )
(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_)
* 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
.. _`#8`: https://github.com/PhasesResearchLab/dfttk/issues/8

0.1 (2018-08-28)
================

Initial release. Includes

(Contributor: @ bocklund_, @ mxf469_)
(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
.. _`@bocklund`: https://github.com/bocklund
.. _`@mxf469`: https://github.com/mxf469
.. _`@hitliaomq`: https://github.com/hitliaomq

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