github grimme-lab/CENSO v3.0.7

5 hours ago

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: v3.0.6...v3.0.7

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