X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Fangle_calc;fp=vasp_tools%2Fangle_calc;h=b23d51dd327b5ccbb6edb064a661a6cf1dfa0c42;hp=da01dfbe3415cbfe1eb14038518f7bf29c212e68;hb=40f91e7d7cb98fedd86bc4e3178021f687190550;hpb=00f8603554b2ad3546d916bcc816e4a2e4441f9d 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