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Published October 26, 2023 | Version v0.3.7
Software Open

quacc – The Quantum Accelerator

Authors/Creators

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

Description

[0.3.7]

Added

  • Added type-hinting for schemas

Changed

  • Recipes now take Atoms instead of Atoms | dict as input
  • Recipes no longer require the use of fetch_atoms
  • Standardized schema fields

Removed

  • Removed the fetch_atoms function

Other

Please cite this work as follows if you use quacc.

Files

Quantum-Accelerators/quacc-v0.3.7.zip

Files (31.8 MB)

Name Size
md5:37bbb7ccbf0b6b07805c060eeb8b529d
31.8 MB Preview Download

Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Accelerators/quacc/tree/v0.3.7 (URL)