From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 20 Aug 2009 11:02:22 +0000 (+0200)
Subject: more easy ...
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=7b97b630ab3bee5cc967142d1a4bfedd29005179;p=physik%2Fposic.git

more easy ...
---

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 }'`