srDFT_G2/Ref/Molecules/g09/create_input.sh
2019-03-25 22:30:19 +01:00

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#! /bin/bash
BASIS=$1
for XYZ in $( ls *.xyz ); do
MOL=${XYZ%.*}
cat ccsdt_fc.template ${MOL}.xyz > ${MOL}.inp
done