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update todo
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ireaml committed Sep 6, 2023
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2 changes: 1 addition & 1 deletion JOSSpaper/JOSSpaper.md
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Expand Up @@ -73,7 +73,7 @@ Calculations and averaging at different points in space can be used to quantify

``MacroDensity`` has been used to rapidly generate data for the publications @Butler:2014 and @Walsh:2013 amongst others.

![Example analysis done with the package for AlAs, CsPbI<sub>3</sub>, and MgO: a) plots of the planar (blue) and macroscopic (orange) averages of the potential, b) plots of the mean potential along the [111] vector, c) onsite (Hartree) potentials of the constituent atoms of the compounds analysed. \label{fig1}](figure.png){ width=20% }
![Example analysis done with the package for AlAs, CsPbI<sub>3</sub>, and MgO: a) plots of the planar (blue) and macroscopic (orange) averages of the potential, b) plots of the mean potential along the [111] vector, c) onsite (Hartree) potentials of the constituent atoms of the compounds analysed. \label{fig1}](figure.png){ width=70% }

# Acknowledgements

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`plot_field_at_point`, `plot_plane_field`, `energy_band_alignment_diagram`, `get_band_extrema` are not currently tested).
Can use matplotlib to compare figures as done [here](https://github.com/SMTG-UCL/ShakeNBreak/blob/develop/tests/test_plotting.py#L1038). Add tests for these functions
- [ ] Add [codecov](https://docs.codecov.com/docs#step-5-get-coverage-analysis-from-codecov) badge to README to see how many lines of code are tested
- [ ] Refactor `plot_planar_average` to show coordinate position in x axis rather than grid position
- [ ] Add linting workflow (similar to [this](https://github.com/SMTG-UCL/ShakeNBreak/blob/develop/.github/workflows/lint.yml))
- [ ] Update conda installation instructions (need to update current conda package, https://anaconda.org/hcc/macrodensity)
- [ ] Automatically get lattice vector from `POSCAR`` file, rather than taking it from user input

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