srDFT_G2/G09/O2/run_g09.sh
2019-04-01 09:37:36 +02:00

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#! /bin/bash
#SBATCH -p xeonv1_mono -c 1 -n 1 -N 1
module load g09/d01
for INP in $( ls *.inp ); do
MOL=${INP%.*}
g09 ${MOL}.inp ${MOL}.out
done