Galore

Latest version: v0.9.0

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0.5.1

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

0.5.0

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- Resample with interpolation by default; use "spikes" only when requested

0.4.0

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- 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

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- 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

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- 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 http://galore.readthedocs.io/en/latest/
- Fancy formatting of units
- Support for files from `David Karhanek's IR analysis script <http://homepage.univie.ac.at/david.karhanek/downloads.html#Entry02>`__
and the `raman-sc program <https://github.com/raman-sc/VASP>`__ for simulated optical spectra.
- Source repository made public
- Python API refactored for cleaner scripts

0.1.0

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Added
~~~~~

- 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

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