PROGRAM		nearby

c	Reads list of peaks (or holes) and tells which atoms are near

	PARAMETER	aa = 197.17, bb = 127.03, cc = 134.18, beta = 97.64
	PARAMETER	NDIM = 5000

	REAL		x(NDIM), y(NDIM), z(NDIM)
	CHARACTER*15	label(NDIM)
	CHARACTER*40	filename

	conv = 45./atan(1.)
	sinb = sin(beta/conv)
	cosb = cos(beta/conv)

c	Read distance criterion

	READ (5, 1001) crit
	WRITE (6, 1001) crit
	crit = crit*crit

c	Read coordinates

	WRITE (6, 1000) 'Enter filename of input Diamond file:'
1000	FORMAT (a)
	READ (5, 1000) filename
	WRITE (6, 1000)
	OPEN (unit=1, form='FORMATTED', status='OLD', file=filename,
	1	readonly)

	READ (1, 1001)
	READ (1, 1001)
	READ (1, 1001)

	num = 1
	DO WHILE (.TRUE.)
1	  READ (1, 1001, end=99, err=1), x(num), y(num), z(num), b, itype,
	1	mres, n, wt, label(num)
1001	  FORMAT (4f10.5, 3i5, f9.5, a)
	  num = num + 1
	endDO
99	num = num-1
	CLOSE (unit=1)

c	Loop through list and find atoms near by

	WRITE (6, 1000) 'Enter filename of input list:'
	READ (5, 1000) filename
	WRITE (6, 1000) filename
	OPEN (unit=2, form='FORMATTED', readonly, file=filename, 
	1	status='OLD')

	WRITE (6, 1000) 'Enter filename of output list:'
	READ (5, 1000) filename
	WRITE (6, 1000) filename
	OPEN (unit=3, form='FORMATTED', carriagecontrol='LIST', 
	1	file=filename, status='UNKNOWN')

	DO WHILE (.TRUE.)
	  READ (2, 1002, end=999) peak, xp, yp, zp
1002	  FORMAT (f15.4, 15x, 3f10.3)

	  dmin = 1.e10
	  DO n = 1, num
	    xx = x(n) - xp
	    yy = y(n) - yp
	    zz = z(n) - zp
	    zz = zz + xx*cosb
	    xx = xx*sinb
	    d = xx*xx + yy*yy + zz*zz
	    IF (d .LT. dmin) THEN
	      dmin = d
	      ijk = n
	    endIF
	  endDO

	  IF (dmin .LT. crit) THEN
	    WRITE (3, 1003) xp, yp, zp, peak, label(ijk), SQRT(dmin)
1003	    FORMAT (4f10.4, 3x, a, f10.4)
	  endIF

	endDO

999	CLOSE (unit=2)
	CLOSE (unit=3)

	end