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Gaussian/fr: Difference between revisions
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G16 name.com # G16 command, input: name.com, output: name.log | G16 name.com # G16 command, input: name.com, output: name.log | ||
}} | }} | ||
Pour utiliser Gaussian 09 ou Gaussian 03, remplacez gaussian/g16.a03 par gaussian/g09.e01 ou gaussian/g03.d01 et remplacez G16 par G09 ou G03. Modifiez --mem, --time, --cpus-per-task selon vos besoins en ressources de calcul. | |||
====Option 2 : g16 (g09, g03)==== | ====Option 2 : g16 (g09, g03)==== | ||