QUICK-25.03

The official QUICK version released in 2025.

This version is also shipped with AmberTools25 (https://ambermd.org/AmberTools.php) as a built-in QM engine.

Short changelog for this release:

• AMD GPU support restored for HIP/MPI+HIP codes (requires ROCm <= v5.4.2, >= v6.2.1 due to known ROCm bugs)
• Added Clang and NVHPC SDK (PGI) compiler support and fixes for MacOS builds
• GPU code improvements (refactoring to unify codes, reduce memory utilization, provide better error checking, and apply fixes)
• Updated SAD guesses to fix SCF performance regression (to match those with QUICK-21.03 for faster SCF convergence)
• Various other bug fixes, optimizations, and test updates (expanded automated CI testing on Github)
• QUICK-25.03 available with AmberTools 2025

QUICK-24.03

The official QUICK version released in 2024.

This version is also shipped with AmberTools24 (https://ambermd.org/AmberTools.php) as a built-in QM engine.

QUICK-23.08b

The official QUICK version released in 2023. This version is also shipped with AmberTools23 (https://ambermd.org/AmberTools.php) as a built-in QM engine.
Note: QUICK-23.08 release updated with an error trap for F functions, fix for compile time error that occurs with intel fortran compiler.

QUICK-23.08a

The official QUICK version released in 2023. This version is also shipped with AmberTools23 (https://ambermd.org/AmberTools.php) as a built-in QM engine.
Note: QUICK-23.08 release updated with an error trap for F functions.

QUICK-23.08

The official QUICK version released in 2023. This version is also shipped with AmberTools23 (https://ambermd.org/AmberTools.php) as a built-in QM engine.
Note: This version does not support basis sets with F functions.

QUICK-22.03

The official QUICK version released in 2022. This version is also shipped with AmberTools22 (https://ambermd.org/AmberTools.php) as a built-in QM engine.
Note: This version does not support basis sets with F functions.

QUICK-21.03

The official QUICK version released in 2021. This version is also shipped with AmberTools21 (https://ambermd.org/AmberTools.php) as a built-in QM engine. QUICK-21.03 has been used in our most recent publications/preprints: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00169, https://doi.org/10.26434/chemrxiv.13769209.v1.

QUICK-20.03

This release was used for the work reported in Manathunga, M.; Miao, Y.; Mu, D.; Götz, A. W.; Merz, K. M. J. Chem. Theory Comput. 2020, acs.jctc.0c00290.

NOTE: As of 07/13/2020, we have moved the QUICK-20.03 documentation to https://quick-docs.readthedocs.io/en/20.3.0/. The users should follow this link rather than https://quick-docs.readthedocs.io/en/latest/.