/* getrms.cc */#include <math.h>#ifdef sgi    #include "getrms.h"#else    extern "C"    {        #include "getrms.h"    }#endiffloat getrms ( float Crd[MAX_ATOMS][SPACE], 	       float CrdRef[MAX_ATOMS][SPACE], 	       Boole B_symmetry_flag, 	       int natom, 	       int type[MAX_ATOMS] ){    double sqrSum, sqrMin, dc[SPACE];    register int i, j, XYZ;    sqrSum = 0.;    if (B_symmetry_flag) {	for (i = 0;  i < natom;  i++) {	    sqrMin = BIG;	    for (j = 0;  j < natom;  j++) {				if (type[i] == type[j]) {		    for (XYZ = 0;  XYZ < SPACE;  XYZ++) {			dc[XYZ]= Crd[i][XYZ] - CrdRef[j][XYZ];		    } /* XYZ */		    sqrMin = min( sqhypotenuse(dc[X], dc[Y], dc[Z]), sqrMin );		}	    } /*  next j  */	    sqrSum += sqrMin;	} /*  next i  */    } else {	for (i = 0;  i < natom;  i++) {	    for (XYZ = 0;  XYZ < SPACE;  XYZ++) {		dc[XYZ]= Crd[i][XYZ] - CrdRef[i][XYZ];	    } /* XYZ */	    sqrSum += sqhypotenuse( dc[X], dc[Y], dc[Z] );	} /*  next i  */    }    return ( sqrt( sqrSum / (double)natom )  );}/* EOF */