There is a newer version of the record available.

Published April 21, 2026 | Version v3.0.7
Software Open

grimme-lab/CENSO: v3.0.7

Authors/Creators

  • 1. Microsoft Research, AI for Science
  • 2. @FACCTs
  • 3. beeOLED GmbH

Description

Summary

  • fixed basis set setup for ORCA when using composite methods

NOTE: before this version, the incorrect auxiliary basis sets were used for composite methods in ORCA, potentially leading to unpredictable deviations in the results. Make sure to check previous results! Turbomole was not affected.

Full Changelog: https://github.com/grimme-lab/CENSO/compare/v3.0.6...v3.0.7

Files

grimme-lab/CENSO-v3.0.7.zip

Files (412.2 kB)

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Additional details

Related works

Is supplement to
Software: https://github.com/grimme-lab/CENSO/tree/v3.0.7 (URL)

Software

Repository URL
https://github.com/grimme-lab/CENSO