zerothi/sisl: v0.13.0 ...
Released 18 of January 2023. Contributors ============ A total of 5 people contributed to this release. People with a "+" by their names contributed a patch for the first time. * A.H. Kole * Nick Papior * Nils Wittemeier + * Pol Febrer * Thomas Frederiksen Pull requests merged ============...
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2023
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Online Access: | https://dx.doi.org/10.5281/zenodo.597181 https://zenodo.org/record/597181 |
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ftdatacite:10.5281/zenodo.597181 2023-06-11T04:15:47+02:00 zerothi/sisl: v0.13.0 ... Papior, Nick Febrer, Pol Frederiksen, Thomas Wittemeier, Nils Kole, Arnold 2023 https://dx.doi.org/10.5281/zenodo.597181 https://zenodo.org/record/597181 en eng Zenodo https://github.com/zerothi/sisl/tree/v0.12.1 https://github.com/zerothi/sisl/tree/v0.12.1 https://dx.doi.org/10.5281/zenodo.56323 https://dx.doi.org/10.5281/zenodo.56509 https://dx.doi.org/10.5281/zenodo.59672 https://dx.doi.org/10.5281/zenodo.160803 https://dx.doi.org/10.5281/zenodo.232998 https://dx.doi.org/10.5281/zenodo.291461 https://dx.doi.org/10.5281/zenodo.291462 https://dx.doi.org/10.5281/zenodo.291463 https://dx.doi.org/10.5281/zenodo.321717 https://dx.doi.org/10.5281/zenodo.439548 https://dx.doi.org/10.5281/zenodo.495025 https://dx.doi.org/10.5281/zenodo.805954 https://dx.doi.org/10.5281/zenodo.833342 https://dx.doi.org/10.5281/zenodo.1012698 https://dx.doi.org/10.5281/zenodo.1034829 https://dx.doi.org/10.5281/zenodo.1336301 https://dx.doi.org/10.5281/zenodo.1484532 https://dx.doi.org/10.5281/zenodo.3461774 https://dx.doi.org/10.5281/zenodo.3661117 Open Access Mozilla Public License 2.0 http://www.mozilla.org/MPL/2.0/ mpl-2.0 info:eu-repo/semantics/openAccess Software SoftwareSourceCode article 2023 ftdatacite https://doi.org/10.5281/zenodo.59718110.5281/zenodo.5632310.5281/zenodo.5650910.5281/zenodo.5967210.5281/zenodo.16080310.5281/zenodo.23299810.5281/zenodo.29146110.5281/zenodo.29146210.5281/zenodo.29146310.5281/zenodo.32171710.5281/zenodo.43954810.5281/zen 2023-05-02T10:54:43Z Released 18 of January 2023. Contributors ============ A total of 5 people contributed to this release. People with a "+" by their names contributed a patch for the first time. * A.H. Kole * Nick Papior * Nils Wittemeier + * Pol Febrer * Thomas Frederiksen Pull requests merged ==================== A total of 18 pull requests were merged for this release. * #487: Fix issue 486 - in correct sign of the y component of the spin... * #489: bug: fixed #488 with the cell order * #494: enh: enabling reading of file-handles and StringIO * #498: 495 deprecation * #499: Easy construction of hydrogenic orbitals * #500: Reading output from ORCA * #503: Plotly is incompatible with ipywidgets 8.x * #504: Allow reading forces from transiesta in output file * #508: New keywords in `step_to()` * #510: Add CodeQL workflow for GitHub code scanning * #511: Possible bug: within_inf with periodic=False returns sc atoms... * #514: Surface slab geometries: clarify `vacuum=None` as a possibility... * #515: doc: fixed indices in sums ... Article in Journal/Newspaper Orca DataCite Metadata Store (German National Library of Science and Technology) The ''Y'' ENVELOPE(-112.453,-112.453,57.591,57.591) Nils ENVELOPE(48.017,48.017,-68.067,-68.067) |
institution |
Open Polar |
collection |
DataCite Metadata Store (German National Library of Science and Technology) |
op_collection_id |
ftdatacite |
language |
English |
description |
Released 18 of January 2023. Contributors ============ A total of 5 people contributed to this release. People with a "+" by their names contributed a patch for the first time. * A.H. Kole * Nick Papior * Nils Wittemeier + * Pol Febrer * Thomas Frederiksen Pull requests merged ==================== A total of 18 pull requests were merged for this release. * #487: Fix issue 486 - in correct sign of the y component of the spin... * #489: bug: fixed #488 with the cell order * #494: enh: enabling reading of file-handles and StringIO * #498: 495 deprecation * #499: Easy construction of hydrogenic orbitals * #500: Reading output from ORCA * #503: Plotly is incompatible with ipywidgets 8.x * #504: Allow reading forces from transiesta in output file * #508: New keywords in `step_to()` * #510: Add CodeQL workflow for GitHub code scanning * #511: Possible bug: within_inf with periodic=False returns sc atoms... * #514: Surface slab geometries: clarify `vacuum=None` as a possibility... * #515: doc: fixed indices in sums ... |
format |
Article in Journal/Newspaper |
author |
Papior, Nick Febrer, Pol Frederiksen, Thomas Wittemeier, Nils Kole, Arnold |
spellingShingle |
Papior, Nick Febrer, Pol Frederiksen, Thomas Wittemeier, Nils Kole, Arnold zerothi/sisl: v0.13.0 ... |
author_facet |
Papior, Nick Febrer, Pol Frederiksen, Thomas Wittemeier, Nils Kole, Arnold |
author_sort |
Papior, Nick |
title |
zerothi/sisl: v0.13.0 ... |
title_short |
zerothi/sisl: v0.13.0 ... |
title_full |
zerothi/sisl: v0.13.0 ... |
title_fullStr |
zerothi/sisl: v0.13.0 ... |
title_full_unstemmed |
zerothi/sisl: v0.13.0 ... |
title_sort |
zerothi/sisl: v0.13.0 ... |
publisher |
Zenodo |
publishDate |
2023 |
url |
https://dx.doi.org/10.5281/zenodo.597181 https://zenodo.org/record/597181 |
long_lat |
ENVELOPE(-112.453,-112.453,57.591,57.591) ENVELOPE(48.017,48.017,-68.067,-68.067) |
geographic |
The ''Y'' Nils |
geographic_facet |
The ''Y'' Nils |
genre |
Orca |
genre_facet |
Orca |
op_relation |
https://github.com/zerothi/sisl/tree/v0.12.1 https://github.com/zerothi/sisl/tree/v0.12.1 https://dx.doi.org/10.5281/zenodo.56323 https://dx.doi.org/10.5281/zenodo.56509 https://dx.doi.org/10.5281/zenodo.59672 https://dx.doi.org/10.5281/zenodo.160803 https://dx.doi.org/10.5281/zenodo.232998 https://dx.doi.org/10.5281/zenodo.291461 https://dx.doi.org/10.5281/zenodo.291462 https://dx.doi.org/10.5281/zenodo.291463 https://dx.doi.org/10.5281/zenodo.321717 https://dx.doi.org/10.5281/zenodo.439548 https://dx.doi.org/10.5281/zenodo.495025 https://dx.doi.org/10.5281/zenodo.805954 https://dx.doi.org/10.5281/zenodo.833342 https://dx.doi.org/10.5281/zenodo.1012698 https://dx.doi.org/10.5281/zenodo.1034829 https://dx.doi.org/10.5281/zenodo.1336301 https://dx.doi.org/10.5281/zenodo.1484532 https://dx.doi.org/10.5281/zenodo.3461774 https://dx.doi.org/10.5281/zenodo.3661117 |
op_rights |
Open Access Mozilla Public License 2.0 http://www.mozilla.org/MPL/2.0/ mpl-2.0 info:eu-repo/semantics/openAccess |
op_doi |
https://doi.org/10.5281/zenodo.59718110.5281/zenodo.5632310.5281/zenodo.5650910.5281/zenodo.5967210.5281/zenodo.16080310.5281/zenodo.23299810.5281/zenodo.29146110.5281/zenodo.29146210.5281/zenodo.29146310.5281/zenodo.32171710.5281/zenodo.43954810.5281/zen |
_version_ |
1768372898599272448 |