Change Log

Notable changes are logged here by release. This project uses Semantic Versioning. The changelog format is inspired by keep-a-changelog.

[0.7.0] - 2021-07-06

  • Continuous integration has been migrated from Travis to Github Actions

  • Minimum Python version has been increased to 3.5.

    • Python 3.4 was not available through Github actions. It is not wise to support a platform we cannot test.

  • BUGFIX: missing import affecting process_pdos

[0.6.2] - 2021-05-24

  • Updated to add a [vasp] extra; this handles Pymatgen installation which can be tricky on older Python versions.

  • Update the [vasp] extra to handle some compatibility breaks between dependencies and different Python versions.

  • Fix some incorrect values in Al k-alpha XPS cross-sections

  • BUGFIX: Pymatgen CompleteDOS was not correctly accepted by galore.process_pdos()

  • Implement previously ineffective “offset” option in galore.plot.plot_pdos(), add a matching option to galore.plot.plot_tdos()

[0.6.1] - 2018-11-19

  • BUGFIX: PDOS plot was failing for elemental systems

[0.6.0] - 2018-11-02

  • Matplotlib styling is exposed to the user: --style option selects CLI style while Python API does not overrule existing style.

  • The default TDOS line colour is now the first colour from the selected style, which is usually blue. The previous default was a bright red.

  • Pymatgen CompleteDos objects can be processed directly.

  • Dropped Python 2.7 compatability.

  • Fixed PDOS bug introduced with Python3 cleanup

[0.5.1] - 2018-05-03

  • galore-plot-sc can optionally show values in Megabarn/electron

[0.5.0] - 2018-04-22

  • Resample with interpolation by default; use “spikes” only when requested

[0.4.0] - 2018-04-17

  • Import (P)DOS from .gpw files generated with GPAW. This requires GPAW to be available.

  • galore-plot-sc tool for convenient plotting of cross-section data

[0.3.0] - 2018-02-19

  • BUGFIX: Yeh/Lindau weightings for partially-occupied orbitals

  • BUGFIX: Odd behaviour in s orbitals including one transcription error

  • Expanded weighting features: HAXPES data parametrised from Scofield tables

  • Verbose output including cross sections, warnings and data source citations

  • galore-get-sc tool for direct access to cross-section data

  • Change Yeh labels from ‘xps’, ‘ups’, ‘haxpes’ to ‘alka’, ‘he2’, ‘yeh_haxpes’

[0.2.0] - 2017-09-29

  • Gaussian broadening added. In the CLI, this stacks with Lorentzian broadening. Specified as a FWHM.

  • Text file output

  • Support for PDOS plotting

  • Read vasprun.xml files using Pymatgen

  • XPS simulation tools; x-axis flipping and PDOS contributions weighted by cross-section.

  • Documentation including tutorials, hosted at

  • Fancy formatting of units

  • Support for files from David Karhanek’s IR analysis script and the raman-sc program for simulated optical spectra.

  • Source repository made public

  • Python API refactored for cleaner scripts

[0.1.0] - 2016-08-11


  • Initial prototype from random data

  • Convolution algorithm used to apply Lorentzian broadening

  • command-line interface

  • Plotting to screen and file

  • Test framework

  • setuptools-based distribution