create_ezfio.sh

This commit is contained in:
Pierre-Francois Loos 2019-03-25 23:18:37 +01:00
parent 77785bc060
commit fb8af9da5a
2 changed files with 9 additions and 0 deletions

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H,1,CH
H,1,CH,2,120.
H,1,CH,2,120.,3,180.,0
CH=1.08130823

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#! /bin/bash
for OUT in $( ls *.out ); do
MOL=${OUT%.*}
qp_convert_output_to_ezfio -o ${MOL} ${MOL}.out
done