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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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Errors reading incomplete GaussianInFiles

rperezsoto opened this issue · comments

commented

UnboundLocalError in Line 484, can be reproduced when no % options are included in the file

ValueError in line 496, can be reproduced when no title is provided.

commented

This bug has been solved in v1.0.0.