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exa-analytics / exatomic

A unified platform for theoretical and computational chemists
https://exa-analytics.github.io/exatomic
Apache License 2.0
19 stars 12 forks source link

Molcas outputs reading bug fixed #284

Closed azaichen closed 5 months ago

azaichen commented 5 months ago

Output files of new OpenMolcas version could be not read without the change. Perhaps there is a data type conflict.