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gcp version 2.3.0
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@awvwgk awvwgk released this 24 Feb 08:58
· 8 commits to main since this release
v2.3.0
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Learn about vigilant mode.

Maintenance release

  • bump to 2.3.0 to leave unclear 2.02 version confusion behind
  • Fix severe bug where damping is enabled unconditionally 🪲

Note: BLYP-D4/TZ and PBE-D4/TZ calculations in the paper J. Chem. Phys. 154, 064103 (2021). DOI: 10.1063/5.0040021 were corrected with the GCP correction including the additional damping. To reproduce the calculations presented within this paper refer to issue #10 or use version 2.1.x.

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