srDFT_G2/Ref/Molecules/g09/VDZ/create_ezfio.sh

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2019-03-26 11:00:25 +01:00
#! /bin/bash
for OUT in $( ls *.out ); do
MOL=${OUT%.*}
qp_convert_output_to_ezfio -o ${MOL} ${MOL}.out
done