From: hackbard Date: Thu, 4 Oct 2007 12:24:49 +0000 (+0200) Subject: auto read atom count X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=5680e09a2c7c8761d4c3eac199ee58ce20655b92;p=physik%2Fposic.git auto read atom count --- diff --git a/calc_delta_e b/calc_delta_e index bde20da..4ff46fb 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=`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" }'