CMS-PDFT_Gradient.tar.gz contains the same things as those in CMS-PDFT_Gradient.zip. A readme file in either
compressed file can be found to explain what this data repository has.



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updates on Aug. 24, 2022

Calculations in OpenMolcas were redone with the NORO keyword in the SEWARD module, and the data were
updated in the paper. The output files are saved in OpenMolcas_noro.tar.gz.


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