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[physik/posic.git]
/
calc_delta_e
diff --git
a/calc_delta_e
b/calc_delta_e
index
bde20da
..
4ff46fb
100755
(executable)
--- a/
calc_delta_e
+++ b/
calc_delta_e
@@
-1,14
+1,9
@@
#!/bin/bash
#!/bin/bash
-# change these settings:
-atom_cnt=1000
-inj_time=10.00
-
+file=`ls $1/atomic_conf_* | tail -1`
+atom_cnt=`grep '# \[P\]' $file | awk '{ print $3 }'`
e0=`grep ^0 $1/energy | awk '{ print $4 }'`
e0=`grep ^0 $1/energy | awk '{ print $4 }'`
-e1=`grep ^${inj_time} $1/energy | awk '{ print $4 }'`
-e2=`tail -n 1 $1/energy | awk '{ print $4 }'`
+e1=`tail -n 1 $1/energy | awk '{ print $4 }'`
-echo "$e0 $e1 $e2 $atom_cnt" | \
- #awk '{ print ($3*($4+1))-($4*$1)" eV" }'
- awk '{ print ($3*($4+1))-(($4+1)*$1)" eV" }'
- #awk '{ print ($3-$1)*$4" eV" }'
+echo "$e0 $e1 $atom_cnt" | \
+ awk '{ print ($2-$1)*$3" eV" }'