14 IF (ipair.GT.npairs) go to 60
22 IF (list(2,j).GT.ilast.OR.body(j).EQ.0.0d0) go to 50
24 IF (nnb.EQ.0) go to 50
28 10
IF (list(l,j).EQ.2*ipair-1)
THEN
31 ELSE IF (list(l,j).EQ.2*ipair)
THEN
34 ELSE IF (inew.EQ.0)
THEN
40 IF (l.LE.nnb+1.AND.list(l,j).LT.ilast) go to 10
45 IF (list(k,j).EQ.i)
THEN
47 ELSE IF (list(k,j).LE.ilast.AND.
48 & list(k,j).GT.2*ipair)
THEN
49 list(k,j) = list(k,j) - 2
55 30
IF (list(l+1,j).LT.list(l,j).AND.l.LE.nnb)
THEN
57 list(l,j) = list(l+1,j)
61 IF (list(l,j).LE.ilast.AND.l.LE.nnb+1) go to 30
66 IF (body(j).EQ.0.0d0) go to 80
71 70
IF (l.EQ.1.OR.list(l,j).LT.icm) go to 80
73 IF (list(l,j).EQ.icm) move = 1
74 IF (list(l,j).NE.icm)
THEN
75 list(l,j) = list(l,j) - 1
81 IF (move.EQ.0) go to 80
83 list(l,j) = list(l+1,j)
92 IF (nnb.GT.lmax-5) kcase = 1
93 IF (nnb.EQ.0) go to 76
97 IF (list(l,j).LE.jcomp)
THEN
103 74 list(l+kcase,j) = list(l,j)
104 IF (l.GT.2.AND.list(l-1,j).GE.icomp)
THEN
112 IF (kcase.EQ.2) list(l+1,j) = jcomp
113 list(1,j) = nnb + kcase
114 IF (kcase.EQ.1.AND.iw.LT.10)
THEN
115 WRITE (6,78) nnb, j, jcomp
116 78
FORMAT (5x,
'WARNING! UPDATE NNB J JCOMP ',3i6)
125 92
IF (l.GT.nnb + 1) go to 96
129 rjk2 = (x(1,j) - x(1,k))**2 + (x(2,j) - x(2,k))**2 +
130 & (x(3,j) - x(3,k))**2
132 IF (rjk2.LT.16.0*rmin**2) go to 91
134 listr(k) = listr(k+2)
140 96
IF (nnb.GT.mlr - 4)
THEN
143 listr(k) = listr(k+2)
155 IF (iflag.EQ.0.OR.iabs(jlist(1) - jlist(2)).EQ.1) go to 110
161 IF (listd(k).EQ.jlist(1).AND.listd(k+1).EQ.jlist(2)) kcomp = 1
166 IF (nnb.GT.mld - 4)
THEN
168 listd(k) = listd(k+2)
173 listd(nnb+3) = jlist(1)
174 listd(nnb+4) = jlist(2)
177 IF (iflag.NE.-1)
WRITE (8,104) ipair, iflag, jlist(1), jlist(2)
178 104
FORMAT (
' LISTD INCONSISTENCY!! IPAIR IFLAG NAMES ',2i5,2i8)
183 IF (listv(l).EQ.icm)
THEN
186 listv(k) = listv(k+1)
188 listv(1) = listv(1) - 1
191 IF (listv(l).GT.icm)
THEN
192 listv(l) = listv(l) - 1