From 0b7c1bce98bbad88ec20df66abb513348e37adbe Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 20 Aug 2009 13:02:54 +0200 Subject: [PATCH] added a temp check (still sth is wrong!) --- vasp_tools/tXp.c | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/vasp_tools/tXp.c b/vasp_tools/tXp.c index 54fe5e2..6b6e6a1 100644 --- a/vasp_tools/tXp.c +++ b/vasp_tools/tXp.c @@ -201,6 +201,14 @@ int main(int argc,char **argv) { X2=costheta*x2+sintheta*x3; X3=costheta*x3-sintheta*x2; + /* check! */ + double tmp1,tmp2,tmp3; + tmp1=(X1*x_1+X2*y_1+X3*z_1)/normx; + tmp2=(X1*x_2+X2*y_2+X3*z_2)/normy; + tmp3=(X1*x_3+X2*y_3+X3*z_3)/normz; + printf("%f %f %f - %f %f %f | %f %f %f\n", + x1,x2,x3,tmp1,tmp2,tmp3,x1-tmp1,x2-tmp2,x3-tmp3); + dprintf(poso," %f %f %f %c %c %c\n",X1,X2,X3,t1,t2,t3); } -- 2.20.1