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Releases: Quantum-Accelerators/quacc

v1.2.4

23 Apr 03:10
305b2fd

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What's Changed

Full Changelog: v1.2.3...v.1.2.4

v1.2.3

22 Apr 19:48
560d37a

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What's Changed

Full Changelog: v1.2.2...v1.2.3

v1.2.2

17 Apr 21:15
bd5f42d

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Added

  • Added odac_static_job

Change

  • Update docs to zensical

What's Changed

Full Changelog: v1.2.1...v1.2.2

v1.2.1

28 Mar 21:54

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What's Changed

Full Changelog: v1.2.0...v1.2.1

v.1.2.0

04 Feb 01:53
19ea917

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Changes

  • Jobflow is now fully supported!

What's Changed

Full Changelog: v1.1.6...v1.2.0

v1.1.6

21 Jan 17:29
a1ad472

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Some minor updates to the TochSim schemas and supported properties.

What's Changed

Full Changelog: v1.1.5...v1.1.6

v1.1.5

16 Jan 01:26
0478f21

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1.1.5

Added

  • Improved TorchSim recipes and added tutorials

Fixed

  • Fixed copy_files so it ignores Custodian error folders

What's Changed

New Contributors

Full Changelog: v1.1.4...v1.1.5

v1.1.4

11 Jan 17:44
f5ec447

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Update CHANGELOG for version 1.1.4 changes

Updated changelog for version 1.1.4 with changes to VASP INCAR copilot and default arguments in matpes_static_job.

v1.1.3

07 Jan 19:40
2d7d31a

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[1.1.3]

Fixed

  • Fixed file I/O when Jobflow is used with run_locally(create_folders=True)

v1.1.2

03 Jan 22:23
d47c50b

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Fixed

  • Wrapped adsorbate positions so it appears within the unit cell when using make_adsorbate_structures