35
36
37
39
40
41
42#include "implicit_f.inc"
43#include "comlock.inc"
44
45
46
47#include "com01_c.inc"
48#include "task_c.inc"
49
50
51
52 INTEGER , ITASK, NSV(*), NIN
54 . x(3,*), v(3,*), xsav(3,*), stfn(*),
55 . xslv_g(*), xmsr_g(*), vslv_g(*), vmsr_g(*),
56 . x21msr(*), v21msr(*), xloc(3,*)
57 TYPE(INTSTAMP_DATA) INTSTAMP
58
59
60
61 INTEGER NSNF,NSNL, I, J, II, N, IROT
63 . xslv(6), vslv(6), xx, yy, zz
64
65
66
67
68
69
70 xslv(1) = -ep30
71 xslv(2) = -ep30
72 xslv(3) = -ep30
73 xslv(4) = ep30
74 xslv(5) = ep30
75 xslv(6) = ep30
76 vslv(1) = -ep30
77 vslv(2) = -ep30
78 vslv(3) = -ep30
79 vslv(4) = ep30
80 vslv(5) = ep30
81 vslv(6) = ep30
82 nsnf = 1 + itask*nsn / nthread
83 nsnl = (itask+1)*nsn / nthread
84
85 irot=intstamp%IROT
86
87 IF(irot==0)THEN
88#include "vectorize.inc"
89 DO i=nsnf,nsnl
90 j=nsv(i)
91
92 IF(stfn(i)/=zero) THEN
93
94 xloc(1,i)=x(1,j)-intstamp%XG(1)
95 xloc(2,i)=x(2,j)-intstamp%XG(2)
96 xloc(3,i)=x(3,j)-intstamp%XG(3)
97 ENDIF
98 ENDDO
99 ELSE
100#include "vectorize.inc"
101 DO i=nsnf,nsnl
102 j=nsv(i)
103
104 IF(stfn(i)/=zero) THEN
105
106 xx=x(1,j)-intstamp%XG(1)
107 yy=x(2,j)-intstamp%XG(2)
108 zz=x(3,j)-intstamp%XG(3)
109 xloc(1,i)=
110 . intstamp%ROT(1)*xx
111 . +intstamp%ROT(2)*yy
112 . +intstamp%ROT(3)*zz
113 xloc(2,i)=
114 . intstamp%ROT(4)*xx
115 . +intstamp%ROT(5)*yy
116 . +intstamp%ROT(6)*zz
117 xloc(3,i)=
118 . intstamp%ROT(7)*xx
119 . +intstamp%ROT(8)*yy
120 . +intstamp%ROT(9)*zz
121 ENDIF
122 ENDDO
123 END IF
124
125#include "vectorize.inc"
126 DO i=nsnf,nsnl
127 j=nsv(i)
128 IF(stfn(i)/=zero) THEN
129 xslv(1)=
max(xslv(1),x(1,j)-xsav(1,i))
130 xslv(2)=
max(xslv(2),x(2,j)-xsav(2,i))
131 xslv(3)=
max(xslv(3),x(3,j)-xsav(3,i))
132 xslv(4)=
min(xslv(4),x(1,j)-xsav(1,i))
133 xslv(5)=
min(xslv(5),x(2,j)-xsav(2,i))
134 xslv(6)=
min(xslv(6),x(3,j)-xsav(3,i
135
136 vslv(1)=
max(vslv(1),v(1,j))
138 vslv(3)=
max(vslv(3),v(3,j))
139 vslv(4)=
min(vslv(4),v(1,j))
140 vslv(5)=
min(vslv(5),v(2,j))
141 vslv(6)=
min(vslv(6),v(3,j))
142 ENDIF
143
144 END DO
145
146#include "lockon.inc"
147 xslv_g(1)=
max(xslv_g(1),xslv(1))
148 xslv_g(2)=
max(xslv_g(2),xslv(2))
149 xslv_g(3)=
max(xslv_g(3),xslv(3))
150 xslv_g(4)=
min(xslv_g(4),xslv(4))
151 xslv_g(5)=
min(xslv_g(5),xslv(5))
152 xslv_g(6)=
min(xslv_g(6),xslv(6))
153
154 vslv_g(1)=
max(vslv_g(1),vslv(1))
155 vslv_g(2)=
max(vslv_g(2),vslv(2))
156 vslv_g(3)=
max(vslv_g(3),vslv(3))
157 vslv_g(4)=
min(vslv_g(4),vslv(4))
158 vslv_g(5)=
min(vslv_g(5),vslv(5))
159 vslv_g(6)=
min(vslv_g(6),vslv(6))
160#include "lockoff.inc"
161
162 xmsr_g(1)=intstamp%D(1)-xsav(1,nsn+1)
163 xmsr_g(2)=intstamp%D(2)-xsav(2,nsn+1)
164 xmsr_g(3)=intstamp%D(3)-xsav(3,nsn+1)
165 xmsr_g(4)=intstamp%D(1)-xsav(1,nsn+1)
166 xmsr_g(5)=intstamp%D(2)-xsav(2,nsn+1)
167 xmsr_g(6)=intstamp%D(3)-xsav(3,nsn+1)
168
169 vmsr_g(1)=intstamp%V(1)
170 vmsr_g(2)=intstamp%V(2)
171 vmsr_g(3)=intstamp%V(3)
172 vmsr_g(4)=intstamp%V(1)
173 vmsr_g(5)=intstamp%V(2)
174 vmsr_g(6)=intstamp%V(3)
175
176 IF(irot/=0)THEN
177 xx=
178 . intstamp%ROT(1)*intstamp%BRACKET(1)
179 . +intstamp%ROT(4)*intstamp%BRACKET
180 . +intstamp%ROT(7)*intstamp%BRACKET(3)
181 yy=
182 . intstamp%ROT(2)*intstamp%BRACKET(1)
183 . +intstamp%ROT(5)*intstamp%BRACKET(2)
184 . +intstamp%ROT(8)*intstamp%BRACKET(3)
185 zz=
186 . intstamp%ROT(3)*intstamp%BRACKET(1)
187 . +intstamp%ROT(6)*intstamp%BRACKET(2)
188 . +intstamp%ROT(9)*intstamp%BRACKET(3)
189 xx=xx-xsav(1,nsn+2)
190 yy=yy-xsav(2,nsn+2)
191 zz=zz-xsav(3,nsn+2)
192 x21msr(1)=xx
193 x21msr(2)=yy
194 x21msr(3)=zz
195 v21msr(1)= intstamp%VR(2)*intstamp%BRACKET(3)
196 . -intstamp%VR(3)*intstamp%BRACKET(2)
197 v21msr(2)= intstamp%VR(3)*intstamp%BRACKET(1)
198 . -intstamp%VR(1)*intstamp%BRACKET(3)
199 v21msr(3)= intstamp%VR(1)*intstamp%BRACKET(2)
200 . -intstamp%VR(2)*intstamp%BRACKET(1)
201 ELSE
202 x21msr(1)=zero
203 x21msr(2)=zero
204 x21msr(3)=zero
205 v21msr(1)=zero
206 v21msr(2)=zero
207 v21msr(3)=zero
208 END IF
209
210
211
212
213 IF(nspmd==1) THEN
214
215 DO i=nsnf,nsnl
216 stfn(i)=
max(stfn(i),zero)
217 ENDDO
218 ENDIF
219
220 RETURN