Published June 23, 2026 | Version v1.3.2
Software Open

quacc – The Quantum Accelerator

Authors/Creators

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

Description

What's Changed

  • Update requirements.txt by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3289
  • Specify qcelemental version in requirements installation by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3292
  • Modify dispersion parameters in mof_off.py by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3290
  • Bump pydantic-settings from 2.14.1 to 2.14.2 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3288
  • Bump prefect from 3.7.5.dev5 to 3.7.6.dev1 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3287
  • Bump actions/checkout from 6 to 7 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3294
  • Bump maggma from 0.72.1 to 0.74.0 by @dependabot[bot] in https://github.com/Quantum-Accelerators/quacc/pull/3295
  • Overhaul parameter swapping by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3293
  • Do not automatically set ISMEAR = -5 for static calculations in INCAR co-pilot by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3296
  • Update vdw_radius for D3BJ dispersion method by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/3297

Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v1.3.1...v1.3.2

Notes

Please cite this work as follows if you use quacc.

Files

Quantum-Accelerators/quacc-v1.3.2.zip

Files (34.5 MB)

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md5:7214f18d8379901b2d3124a8d088a51a
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Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Accelerators/quacc/tree/v1.3.2 (URL)

Software

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