regular checkin of logfile

[physik/posic.git] / calc_delta_e

diff --git a/calc_delta_e b/calc_delta_e
index 4ff46fb..455ce57 100755 (executable)
--- a/calc_delta_e
+++ b/calc_delta_e
@@ -2,7 +2,7 @@
 
 file=`ls $1/atomic_conf_* | tail -1`
 atom_cnt=`grep '# \[P\]' $file | awk '{ print $3 }'`
-e0=`grep ^0 $1/energy | awk '{ print $4 }'`
+e0=`awk 'NR==2' $1/energy | awk '{ print $4 }'`
 e1=`tail -n 1 $1/energy | awk '{ print $4 }'`
 
 echo "$e0 $e1 $atom_cnt" | \