39 1 NIN ,IPARI ,INTBUF_TAB ,X ,
40 2 V ,A ,ITASK ,IGRBRIC ,
41 3 EMINX ,MS ,NC ,IADLL ,
42 4 LLL ,JLL ,SLL ,XLL ,N_MUL_MX,
43 5 IXS ,IXS16 ,IXS20 ,NKMAX ,COMNTAG )
49 use element_mod ,
only : nixs
72#include "implicit_f.inc"
87 INTEGER NIN,ITASK ,NC, ,NKMAX
88 INTEGER IPARI(NPARI,NINTER),
89 . IADLL(*) ,LLL(*) ,JLL(*) ,SLL(*) , COMNTAG(*),
90 . IXS(NIXS,*) ,IXS16(8,*) ,IXS20(12,*)
93 . x(3,*), v(3,*), a(3,*), ms(*),eminx(6,*),
97TYPE (GROUP_) ,
DIMENSION(NGRBRIC) :: IGRBRIC
102 . nme_t,esh_t,ign,ige,multimp,noint,mx_cand,nmes,
103 . idum1, idum2, idum3, nmesr
106 . startt, stopt,xx,xy,xz,tzinf,minbox,xmsr(6),size_t
110 noint = ipari(15,nin)
111 multimp = ipari(23,nin)
114 nmes =igrbric(ign)%NENTITY
115 nme =igrbric(ige)%NENTITY
116 lwat = 4*(nme+100)+4*(nmes+100)
118 startt = intbuf_tab%VARIABLES(3)
119 stopt = intbuf_tab%VARIABLES(11)
125 IF(itask==nthread-1)nme_t=nme-(nthread-1)*(nme/nthread)
127 intbuf_tab%XSLVG(1) = -ep30
128 intbuf_tab%XSLVG(2) = -ep30
129 intbuf_tab%XSLVG(3) = -ep30
130 intbuf_tab%XSLVG(4) = ep30
131 intbuf_tab%XSLVG(5) = ep30
132 intbuf_tab%XSLVG(6) = ep30
133 intbuf_tab%XMSRG(1) = -ep30
134 intbuf_tab%XMSRG(2) = -ep30
135 intbuf_tab%XMSRG(3) = -ep30
136 intbuf_tab%XMSRG(4) = ep30
137 intbuf_tab%XMSRG(5) = ep30
138 intbuf_tab%XMSRG(6) = ep30
152 1 x ,v ,a ,igrbric(ige)%ENTITY ,eminx,
153 2 nme ,itask ,intbuf_tab%XSAV,ixs ,ixs16,
154 3 ixs20 ,xmsr ,size_t)
157 intbuf_tab%XMSRG(1)=
max(intbuf_tab%XMSRG(1),xmsr(1))
158 intbuf_tab%XMSRG(2)=
max(intbuf_tab%XMSRG(2),xmsr(2))
159 intbuf_tab%XMSRG(3)=
max(intbuf_tab%XMSRG(3),xmsr(3))
160 intbuf_tab%XMSRG(4)=
min(intbuf_tab%XMSRG(4),xmsr(4))
161 intbuf_tab%XMSRG(5)=
min(intbuf_tab%XMSRG(5),xmsr(5))
162 intbuf_tab%XMSRG(6)=
min(intbuf_tab%XMSRG(6),xmsr(6))
163#include "lockoff.inc"
167 1 x ,v ,a ,igrbric(ign)%ENTITY,eminx(1,nme+1),
168 2 nmes ,itask ,intbuf_tab%XSAV,ixs ,ixs16 ,
169 3 ixs20 ,intbuf_tab%XSLVG ,size_t )
172 intbuf_tab%XSLVG(1)=
max(intbuf_tab%XSLVG(1),xmsr(1))
173 intbuf_tab%XSLVG(2)=
max(intbuf_tab%XSLVG(2),xmsr(2))
174 intbuf_tab%XSLVG(3)=
max(intbuf_tab%XSLVG(3),xmsr(3))
175 intbuf_tab%XSLVG(4)=
min(intbuf_tab%XSLVG(4),xmsr(4))
176 intbuf_tab%XSLVG(5)=
min(intbuf_tab%XSLVG(5),xmsr(5))
177 intbuf_tab%XSLVG(6)=
min(intbuf_tab%XSLVG(6),xmsr(6))
179#include "lockoff.inc"
185 tzinf = intbuf_tab%VARIABLES(4) *
SIZE / (nme+nmes) / 6
186 minbox = intbuf_tab%VARIABLES(5) *
SIZE / (nme+nmes) / 6
187 xx =
max(intbuf_tab%XSLVG(1)-intbuf_tab%XMSRG(4),intbuf_tab%XMSRG(1)-intbuf_tab%XSLVG(4))
188 xy =
max(intbuf_tab%XSLVG(2)-intbuf_tab%XMSRG(5),intbuf_tab%XMSRG(2)-intbuf_tab%XSLVG(5))
189 xz =
max(intbuf_tab%XSLVG(3)-intbuf_tab%XMSRG(6),intbuf_tab%XMSRG(3)-intbuf_tab%XSLVG(6))
191 IF(xx**2 + xy**2 + xz**2 >= tzinf**2)
THEN
200 1 igrbric(ign)%ENTITY,ixs ,ixs16 ,ixs20 ,igrbric(ige)%ENTITY ,
201 2 nme_t ,lwat ,nmes ,intbuf_tab%CAND_E,intbuf_tab%CAND_N,
202 3 noint ,ipari(35,nin) ,tzinf ,minbox ,eminx ,
203 4 intbuf_tab%XSAV,itask ,x ,v ,a ,
204 5 mx_cand ,eminx(1,nme+1),esh_t ,intbuf_tab%FROTS,intbuf_tab%KS,
205 6 idum1 ,idum2 ,idum3 ,nin ,nmesr ,
216 1 x ,v ,lll ,jll ,sll ,
217 2 xll ,intbuf_tab%CAND_N,intbuf_tab%CAND_E,ipari(35,nin
218 3 ixs16 ,iadll ,eminx ,igrbric(ign)%ENTITY,igrbric(ige)%ENTITY,
219 4 nc ,n_mul_mx ,itask ,a ,ipari(30,nin),
220 5 nin ,nkmax ,eminx(1,nme+1),comntag )
222 1 x ,v ,lll ,jll ,sll ,
223 2 xll ,intbuf_tab%CAND_N,intbuf_tab%CAND_E,ipari(35,nin),ixs,
225 4 nc ,n_mul_mx ,itask ,a ,ipari(30,nin),
226 5 nin ,nkmax ,eminx(1,nme+1),comntag )
subroutine i17buce(neles, ixs, ixs16, ixs20, nelem, nme, lwat, nmes, cand_e, cand_n, noint, i_stok_glob, tzinf, minbox, eminxm, xsav, itask, x, v, a, mx_cand, eminxs, esh_t, frots, ks, isendto, ircvfrom, weight, nin, nmesr, vcom)
subroutine i17main(nin, ipari, intbuf_tab, x, v, a, itask, igrbric, eminx, ms, nc, iadll, lll, jll, sll, xll, n_mul_mx, ixs, ixs16, ixs20, nkmax, comntag)