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Published January 6, 2024 | Version v0.5.2
Software Open

quacc – The Quantum Accelerator

Creators

  • 1. Department of Chemical and Biological Engineering, Princeton University

Description

[0.5.2]

Changed

  • ORCA and GULP recipes now use a more intuitive and concise list[str] input argument format instead of a dict format when overriding defaults

Fixed

  • Fixed concurrency issues with Dask subflows (credit: @zulissimeta)

Notes

Please cite this work as follows if you use quacc.

Files

Quantum-Accelerators/quacc-v0.5.2.zip

Files (45.8 MB)

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md5:5b43de7e76818dff34a5f20ee346dd4f
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Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Accelerators/quacc/tree/v0.5.2 (URL)