Revised wording in pdb2gmx.c, hopefully clearer now.
[gromacs/rigid-bodies.git] / src / gmxlib / invsqrt_test.c
blob1313442a3f3c2b623ac00ed51e4b10c3586e517d
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35 /* This file is completely threadsafe - keep it that way! */
36 #ifdef HAVE_CONFIG_H
37 #include <config.h>
38 #endif
40 #include "vec.h"
42 int main(int argc,char *argv[])
44 real x,y,z,diff,av;
45 int i;
47 printf("%12s %12s %12s %12s %12s\n","X","invsqrt(X)","1/sqrt(X)","Abs. Diff.","Rel. Diff.");
48 for(i=1; (i<1000); i++) {
49 x = i*1.0;
50 y = gmx_invsqrt(x);
51 z = 1.0/sqrt(x);
52 diff = y-z;
53 av = 0.5*(y+z);
54 printf("%12.5e %12.5e %12.5e %12.5e %12.5e\n",x,y,z,diff,diff/z);
56 return 0;