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Published February 25, 2025 | Version v0.12.2
Software Open

quacc – The Quantum Accelerator

Authors/Creators

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

Description

[0.12.2]

Added

  • Added a new keyword argument, filter_kwargs, to the Runner.run_opt() class to modify the ASE filter

Notes

Please cite this work as follows if you use quacc.

Files

Quantum-Accelerators/quacc-v0.12.2.zip

Files (34.5 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Accelerators/quacc/tree/v0.12.2 (URL)

Software

Repository URL
https://github.com/Quantum-Accelerators/quacc