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Published April 20, 2024 | Version v0.7.6
Software Open

quacc – The Quantum Accelerator

Authors/Creators

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

Description

What's Changed

  • [Espresso] support for in place outdir by @tomdemeyere in https://github.com/Quantum-Accelerators/quacc/pull/1996
  • Increase hackability of recipes by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/2017
  • Delete src/quacc/calculators/vasp/presets/magmoms_MP.yaml by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/2018

Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v0.7.5...v0.7.6

Notes

Please cite this work as follows if you use quacc.

Files

Quantum-Accelerators/quacc-v0.7.6.zip

Files (36.1 MB)

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md5:401cca27e9aac4e89f9aa31621ecb09b
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Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Accelerators/quacc/tree/v0.7.6 (URL)