- :release:`0.3.0 <2017-12-26>`
- :feature:`0` Add :ref:`abiview.py` script for a quick visualization of results.
- :feature:`0` :ref:`abicheck.py` accepts
-with-flow
options - :feature:`0` Add AbinitInput.set_spell_check to activate/deactivate spell-checker
- :feature:`0` Improve coverage
- 🐛`0 major` Fix bug in in SigresFile.get_dataframe if QP states do not start with the same band index.
- 🐛`0 major` Fix bug in thermodinamical properties (zero-point energy was included twice)
- :feature:`0` Add
mpirunner_options
andshell_runner_options
to |TaskManager|. - :feature:`0` Autodetect presence in |DdbFile| of data required for the LO-TO splitting.
- :feature:`0` Solve problem with visualize in jupyter_ notebooks (files should be produced in workdir)
- :feature:`0` Change default value of
shifts
in :func:`abipy.abio.factories.g0w0_with_ppmodel_inputs`. - :feature:`0` Add interface with phononwebsite_: abiview.py phbands out_PHBST.nc -web.
- :feature:`0` Add robots for comparing/analyzing multiple files of the same type (|DdbRobot|, |GsrRobot| ...) Some of the robot capabilities are exposed via the :ref:`abicomp.py` and the :ref:`abirun.py` scripts.
- :feature:`0` Add several new options to :ref:`abirun.py`, :ref:`abicomp.py` and :ref:`abistruct.py` scripts.
- :support:`0` Significant improvements to the documentation and the website: add :ref:`plot-gallery` with matplotlib plots and :ref:`flow-gallery` with AbiPy flows are now automatically generated.
- :feature:`0`: Add Shankland-Koelling-Wood Fourier interpolation scheme. For the theoretical background see :cite:`Euwema1969,Koelling1986,Pickett1988,Madsen2006`.
- :release:`0.2.0 <2017-03-10>`
- :feature:`0` This is the first official release in which we have reached a relatively stable API and a well-defined interface with the netcdf files produced by Abinit. We recommend Abinit >= 8.0.8b, version 8.2.2 is required to analyze the electronic fatbands saved in the FATBANDS.nc_ file.