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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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Link1 - issues identifying %nproc and %Mem

lmoranglez opened this issue · comments

commented

Employing the pyssian library directly:
In order to identify the nprocshared and the mem in the link1 of an output, it is required that the calculation defines the variable %nprocshared and %mem in these specific formats: %nprocshared and %mem.
Different names as: %nprocs or %nproc, %Mem are not recognized by the library.