X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=calc_delta_e;h=455ce57ebb9d4f61237a534b74bd40502067de0f;hb=c8a82a10a403a5e8efc9e83ee36f5d6d35ab639e;hp=bde20da40bdda2c4c9ea71947ece59c90d087561;hpb=e34be948a7efef2e183a68912046f529ff2e75cf;p=physik%2Fposic.git

diff --git a/calc_delta_e b/calc_delta_e
index bde20da..455ce57 100755
--- a/calc_delta_e
+++ b/calc_delta_e
@@ -1,14 +1,9 @@
 #!/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=`awk 'NR==2' $1/energy | awk '{ print $4 }'`
+e1=`tail -n 1 $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 $4 }'`
-
-echo "$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" }'