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maserasgroup-repo / pyssian

Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of computational chemists using Gaussian.

Home Page:https://maserasgroup-repo.github.io/pyssian/

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Bug when parsing a link0 of type "%keywd\n"

rperezsoto opened this issue · comments

commented

When parsing a link0 of type "%keywd\n" the read method raises the error: TypeError: unhashable type: 'list'. Seems that a "[0]" in the Aux variable is missing.