From 40f91e7d7cb98fedd86bc4e3178021f687190550 Mon Sep 17 00:00:00 2001
From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Tue, 23 Mar 2010 17:32:19 +0100
Subject: [PATCH] added acos to angle calc

---
 vasp_tools/acos.c     | 11 +++++++++++
 vasp_tools/angle_calc |  8 +++++---
 2 files changed, 16 insertions(+), 3 deletions(-)
 create mode 100644 vasp_tools/acos.c

diff --git a/vasp_tools/acos.c b/vasp_tools/acos.c
new file mode 100644
index 0000000..609a6dc
--- /dev/null
+++ b/vasp_tools/acos.c
@@ -0,0 +1,11 @@
+/* acos */
+
+#include <stdio.h>
+#include <math.h>
+#include <stdlib.h>
+
+int main(int argc,char **argv) {
+	printf("%f\n",180.0/M_PI*acos(atof(argv[1])));
+	return 0;
+}
+
diff --git a/vasp_tools/angle_calc b/vasp_tools/angle_calc
index da01dfb..b23d51d 100755
--- a/vasp_tools/angle_calc
+++ b/vasp_tools/angle_calc
@@ -41,7 +41,7 @@ yc=`echo $temp | awk '{ print $2 }'`
 zc=`echo $temp | awk '{ print $3 }'`
 
 echo -en "angle: "
-echo "$xa $ya $za $xb $yb $zb $xc $yc $zc $scale" | \
+foo=`echo "$xa $ya $za $xb $yb $zb $xc $yc $zc $scale" | \
 	awk ' \
 	BEGIN {
 		X1=ENVIRON["X1"]; X2=ENVIRON["X2"]; X3=ENVIRON["X3"]
@@ -92,8 +92,10 @@ echo "$xa $ya $za $xb $yb $zb $xc $yc $zc $scale" | \
 		sp=dxt*Dxt+dyt*Dyt+dzt*Dzt
 		d=sqrt(dxt^2+dyt^2+dzt^2)
 		D=sqrt(Dxt^2+Dyt^2+Dzt^2)
-		print 180.0/pi*acos2(sp/(d*D))
-	}'
+		print sp/(d*D)
+	}'`
+
+./acos $foo
 
 echo
 
-- 
2.39.2