quacc – The Quantum Accelerator ...
Changelog Added Added support for Prefect. Added quacc.util.dask module. Changed Made slab-related kwargs more consistent, such as by changing slab_relax_electron / slab_relax_app to just slab_relax regardless of workflow manager. What's Changed Better unit test handling by @arosen93 in https:/...
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Online Access: | https://dx.doi.org/10.5281/zenodo.8137147 https://zenodo.org/record/8137147 |
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ftdatacite:10.5281/zenodo.8137147 2024-04-28T08:35:16+00:00 quacc – The Quantum Accelerator ... Rosen, Andrew 2023 https://dx.doi.org/10.5281/zenodo.8137147 https://zenodo.org/record/8137147 unknown Zenodo https://github.com/Quantum-Accelerators/quacc/tree/v0.1.2 https://github.com/Quantum-Accelerators/quacc/tree/v0.1.2 https://dx.doi.org/10.5281/zenodo.7720998 Open Access info:eu-repo/semantics/openAccess article Software SoftwareSourceCode 2023 ftdatacite https://doi.org/10.5281/zenodo.813714710.5281/zenodo.7720998 2024-04-02T12:34:54Z Changelog Added Added support for Prefect. Added quacc.util.dask module. Changed Made slab-related kwargs more consistent, such as by changing slab_relax_electron / slab_relax_app to just slab_relax regardless of workflow manager. What's Changed Better unit test handling by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/556 Better handling of GULP geometry file by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/559 Fix jobflow tutorial docs by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/560 Add code hyperlinks to the documentation by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/562 Update database docs by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/563 Update ORCA instructions by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/565 Cleanup API docs by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/567 Bump maggma from 0.51.12 to 0.51.18 by @dependabot in ... : Please cite this work as follows if you use quacc. ... Article in Journal/Newspaper Orca DataCite Metadata Store (German National Library of Science and Technology) |
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DataCite Metadata Store (German National Library of Science and Technology) |
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ftdatacite |
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unknown |
description |
Changelog Added Added support for Prefect. Added quacc.util.dask module. Changed Made slab-related kwargs more consistent, such as by changing slab_relax_electron / slab_relax_app to just slab_relax regardless of workflow manager. What's Changed Better unit test handling by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/556 Better handling of GULP geometry file by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/559 Fix jobflow tutorial docs by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/560 Add code hyperlinks to the documentation by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/562 Update database docs by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/563 Update ORCA instructions by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/565 Cleanup API docs by @arosen93 in https://github.com/Quantum-Accelerators/quacc/pull/567 Bump maggma from 0.51.12 to 0.51.18 by @dependabot in ... : Please cite this work as follows if you use quacc. ... |
format |
Article in Journal/Newspaper |
author |
Rosen, Andrew |
spellingShingle |
Rosen, Andrew quacc – The Quantum Accelerator ... |
author_facet |
Rosen, Andrew |
author_sort |
Rosen, Andrew |
title |
quacc – The Quantum Accelerator ... |
title_short |
quacc – The Quantum Accelerator ... |
title_full |
quacc – The Quantum Accelerator ... |
title_fullStr |
quacc – The Quantum Accelerator ... |
title_full_unstemmed |
quacc – The Quantum Accelerator ... |
title_sort |
quacc – the quantum accelerator ... |
publisher |
Zenodo |
publishDate |
2023 |
url |
https://dx.doi.org/10.5281/zenodo.8137147 https://zenodo.org/record/8137147 |
genre |
Orca |
genre_facet |
Orca |
op_relation |
https://github.com/Quantum-Accelerators/quacc/tree/v0.1.2 https://github.com/Quantum-Accelerators/quacc/tree/v0.1.2 https://dx.doi.org/10.5281/zenodo.7720998 |
op_rights |
Open Access info:eu-repo/semantics/openAccess |
op_doi |
https://doi.org/10.5281/zenodo.813714710.5281/zenodo.7720998 |
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1797567415330013184 |