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Make animations of phonon displacement patterns #283
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6caef62
Displace functionality
mstekiel b30d410
Plot structure functionality
mstekiel 56b1305
Clean up code and docs
mstekiel a92e8a8
Merge branch 'master' of https://github.com/pace-neutrons/Euphonic
mstekiel 9ebdfb6
move calc_disp to Crystal
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,71 @@ | ||
| cff-version: 1.2.0 | ||
| message: "If you have used Euphonic in your research, please cite both the Euphonic software itself, and the article from preferred-citation" | ||
| abstract: "Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants" | ||
| authors: | ||
| - family-names: "Fair" | ||
| given-names: "Rebecca L." | ||
| orcid: https://orcid.org/0000-0002-0926-2942 | ||
| - family-names: "Farmer" | ||
| given-names: "Jessica L." | ||
| - family-names: "Jackson" | ||
| given-names: "Adam J." | ||
| orcid: https://orcid.org/0000-0001-5272-6530 | ||
| - family-names: "King" | ||
| given-names: "James C." | ||
| - family-names: "Le" | ||
| given-names: "Manh D." | ||
| orcid: https://orcid.org/0000-0003-3012-6053 | ||
| - family-names: "Perring" | ||
| given-names: "Toby G." | ||
| orcid: https://orcid.org/0000-0001-5756-6433 | ||
| - family-names: "Pettitt" | ||
| given-names: "Connor" | ||
| - family-names: "Refson" | ||
| given-names: "Keith" | ||
| orcid: https://orcid.org/0000-0002-8715-5835 | ||
| - family-names: "Tucker" | ||
| given-names: "Gregory S." | ||
| orcid: https://orcid.org/0000-0002-2787-8054 | ||
| - family-names: "Voneshen" | ||
| given-names: "David J." | ||
| orcid: https://orcid.org/0000-0001-5716-7184 | ||
| title: "Euphonic" | ||
| doi: 10.5286/SOFTWARE/EUPHONIC | ||
| version: 1.1.0 | ||
| date-released: 2022-11-10 | ||
| license: GPL-3.0-only | ||
| repository-code: https://github.com/pace-neutrons/Euphonic | ||
| url: https://euphonic.readthedocs.io | ||
| keywords: | ||
| - "Python" | ||
| - "physics" | ||
| - "phonons" | ||
| - "inelastic neutron scattering" | ||
| - "CASTEP" | ||
| - "Phonopy" | ||
| preferred-citation: | ||
| authors: | ||
| - family-names: "Fair" | ||
| given-names: "Rebecca L." | ||
| orcid: https://orcid.org/0000-0002-0926-2942 | ||
| - family-names: "Jackson" | ||
| given-names: "Adam J." | ||
| orcid: https://orcid.org/0000-0001-5272-6530 | ||
| - family-names: "Voneshen" | ||
| given-names: "David J." | ||
| orcid: https://orcid.org/0000-0001-5716-7184 | ||
| - family-names: "Jochym" | ||
| given-names: "Dominik B." | ||
| orcid: https://orcid.org/0000-0002-1413-4179 | ||
| - family-names: "Le" | ||
| given-names: "Manh D." | ||
| orcid: https://orcid.org/0000-0003-3012-6053 | ||
| - family-names: "Refson" | ||
| given-names: "Keith" | ||
| orcid: https://orcid.org/0000-0002-8715-5835 | ||
| - family-names: "Perring" | ||
| given-names: "Toby G." | ||
| orcid: https://orcid.org/0000-0001-5756-6433 | ||
| doi: 10.1107/S1600576722009256 | ||
| title: "Euphonic: inelastic neutron scattering simulations from force constants and visualization tools for phonon properties" | ||
| type: article | ||
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This file (and the LICENSE) seem to have been mistakenly copied from the project directory into the Python module folder?
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Yes