From 7b97b630ab3bee5cc967142d1a4bfedd29005179 Mon Sep 17 00:00:00 2001
From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 20 Aug 2009 13:02:22 +0200
Subject: [PATCH] more easy ...
---
vasp_tools/poscar2moldyn | 15 ++++++---------
1 file changed, 6 insertions(+), 9 deletions(-)
diff --git a/vasp_tools/poscar2moldyn b/vasp_tools/poscar2moldyn
index 29a527e..b0ad584 100755
--- a/vasp_tools/poscar2moldyn
+++ b/vasp_tools/poscar2moldyn
@@ -50,15 +50,12 @@ tail -${total} $file | \
type="C"
color="Gray"
fi
- ((X=0))
- ((Y=0))
- ((Z=0))
- X=`echo $X $x $y $z $x1 $y1 $z1 | \
- awk '{ print $1+($2*$5)+($3*$6)+($4*$7) }'`
- Y=`echo $Y $x $y $z $x2 $y2 $z2 | \
- awk '{ print $1+($2*$5)+($3*$6)+($4*$7) }'`
- Z=`echo $Z $x $y $z $x3 $y3 $z3 | \
- awk '{ print $1+($2*$5)+($3*$6)+($4*$7) }'`
+ X=`echo $x $y $z $x1 $y1 $z1 | \
+ awk '{ print $1*$4+$2*$5+$3*$6 }'`
+ Y=`echo $x $y $z $x2 $y2 $z2 | \
+ awk '{ print $1*$4+$2*$5+$3*$6 }'`
+ Z=`echo $x $y $z $x3 $y3 $z3 | \
+ awk '{ print $1*$4+$2*$5+$3*$6 }'`
X=`echo $lc $X | awk '{ print $1*$2 }'`
Y=`echo $lc $Y | awk '{ print $1*$2 }'`
Z=`echo $lc $Z | awk '{ print $1*$2 }'`
--
2.39.5