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Searched refs:idyn (Results 1 – 25 of 106) sorted by relevance

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/dports/science/tinker/tinker/source/
H A Dprtdyn.f29 integer i,idyn
39 idyn = freeunit ()
44 rewind (unit=idyn)
52 write (idyn,fstr(1:32))
67 write (idyn,fstr(1:30))
76 write (idyn,fstr(1:31))
82 write (idyn,fstr(1:39))
88 write (idyn,fstr(1:33))
94 write (idyn,fstr(1:30))
104 write (idyn,fstr(1:31))
[all …]
H A Dreaddyn.f29 integer i,idyn,ndyn local
60 read (idyn,20)
74 read (idyn,50)
90 read (idyn,80)
97 read (idyn,100)
104 read (idyn,120)
111 read (idyn,140)
122 read (idyn,160)
129 read (idyn,180)
136 read (idyn,200)
[all …]
H A Dmdinit.f44 integer idyn,lext local
325 idyn = freeunit ()
326 open (unit=idyn,file=dynfile,status='old')
327 rewind (unit=idyn)
328 call readdyn (idyn)
329 close (unit=idyn)
/dports/science/siesta/siesta-4.1.5/Src/
H A Dread_options.F90964 idyn = 0
971 idyn = 0
974 idyn = 0
977 idyn = 1
1208 if (idyn .ge. 1 .and. idyn .le. 5) then
1271 if (idyn==2 .or. idyn==4) then
1283 if (idyn==3 .or. idyn==4) then
1341 if (idyn==2 .or. idyn==4 .or. (idyn==5 .and. (ianneal ==1 .or. ianneal==3))) then
1354 if (idyn==3 .or. idyn==4 .or. (idyn==5 .and. (ianneal==2 .or. ianneal==3))) then
1437 .and. (idyn/=1) .and. (idyn/=2) &
[all …]
H A Dsiesta_init.F454 if (idyn .ne. 0) then
625 if (idyn .eq. 0) then
628 else if (idyn .ge. 1 .and. idyn .le. 5) then
631 else if (idyn .eq. 6) then
634 else if (idyn .eq. 7) then
636 else if (idyn .eq. 8) then
640 else if (idyn == 9) then
653 else if (idyn == 10) then
668 if (idyn .ne. 0 .and. idyn .ne. 6 .and. (.not. xv_file_read))
682 call slua_init(LUA, idyn == 10)
H A Dsave_density_matrix.F9036 use siesta_options, only: idyn, nmove, fixspin
95 if ( (idyn == 0 .and. nmove == 0) .or. &
96 (idyn == 6 .and. istp == 1 ) ) then
127 select case ( idyn )
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gdc.test/fail_compilation/
H A Ddiag16976.d61 immutable int[] idyn = [1,2,3,4,5]; in main()
65 static foreach(float f, i; idyn) {} in main()
69 static foreach(float f, dchar i; idyn) {} in main()
73 static foreach_reverse(float f, i; idyn) {} in main()
77 static foreach_reverse(float f, dchar i; idyn) {} in main()
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gdc.test/fail_compilation/
H A Ddiag16976.d61 immutable int[] idyn = [1,2,3,4,5]; in main()
65 static foreach(float f, i; idyn) {} in main()
69 static foreach(float f, dchar i; idyn) {} in main()
73 static foreach_reverse(float f, i; idyn) {} in main()
77 static foreach_reverse(float f, dchar i; idyn) {} in main()
/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gdc.test/fail_compilation/
H A Ddiag16976.d61 immutable int[] idyn = [1,2,3,4,5]; in main()
65 static foreach(float f, i; idyn) {} in main()
69 static foreach(float f, dchar i; idyn) {} in main()
73 static foreach_reverse(float f, i; idyn) {} in main()
77 static foreach_reverse(float f, dchar i; idyn) {} in main()
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gdc.test/fail_compilation/
H A Ddiag16976.d61 immutable int[] idyn = [1,2,3,4,5]; in main()
65 static foreach(float f, i; idyn) {} in main()
69 static foreach(float f, dchar i; idyn) {} in main()
73 static foreach_reverse(float f, i; idyn) {} in main()
77 static foreach_reverse(float f, dchar i; idyn) {} in main()
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gdc.test/fail_compilation/
H A Ddiag16976.d61 immutable int[] idyn = [1,2,3,4,5]; in main()
65 static foreach(float f, i; idyn) {} in main()
69 static foreach(float f, dchar i; idyn) {} in main()
73 static foreach_reverse(float f, i; idyn) {} in main()
77 static foreach_reverse(float f, dchar i; idyn) {} in main()
/dports/cad/z88/Z88OS-15/src/z88n/common/
H A Dmc288n.c153 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc288n()
172 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc288n()
179 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc288n()
243 if(idyn == 2) x[index]= xsp; in mc288n()
244 if(idyn == 2) y[index]= ysp; in mc288n()
245 if(idyn == 2) z[index]= zsp; in mc288n()
250 if(idyn == 1) in mc288n()
H A Dmc688n.c155 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc688n()
174 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc688n()
181 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc688n()
245 if(idyn == 2) x[index]= xsp; in mc688n()
246 if(idyn == 2) y[index]= ysp; in mc688n()
247 if(idyn == 2) z[index]= zsp; in mc688n()
252 if(idyn == 1) in mc688n()
H A Dmc788n.c153 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc788n()
172 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc788n()
179 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc788n()
243 if(idyn == 2) x[index]= xsp; in mc788n()
244 if(idyn == 2) y[index]= ysp; in mc788n()
245 if(idyn == 2) z[index]= zsp; in mc788n()
250 if(idyn == 1) in mc788n()
H A Dmc388n.c151 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc388n()
169 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc388n()
176 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc388n()
231 if(idyn == 2) x[index]= xsp; in mc388n()
232 if(idyn == 2) y[index]= ysp; in mc388n()
236 if(idyn == 1) in mc388n()
H A Dmc488n.c148 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc488n()
166 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc488n()
173 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc488n()
228 if(idyn == 2) x[index]= xsp; in mc488n()
229 if(idyn == 2) y[index]= ysp; in mc488n()
233 if(idyn == 1) in mc488n()
H A Dmc888n.c151 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc888n()
169 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc888n()
176 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc888n()
231 if(idyn == 2) x[index]= xsp; in mc888n()
232 if(idyn == 2) y[index]= ysp; in mc888n()
236 if(idyn == 1) in mc888n()
H A Dmc588n.c148 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc588n()
166 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc588n()
173 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc588n()
228 if(idyn == 2) x[index]= xsp; in mc588n()
229 if(idyn == 2) y[index]= ysp; in mc588n()
233 if(idyn == 1) in mc588n()
H A Dmc188n.c153 extern FR_INT4 ness,ndim,kflag,ifrei,ityp,idyn; in mc188n()
172 if(idyn == 2) wrim88n(0,TX_BERKOOR); in mc188n()
179 if(idyn == 2) wrim88n(iss,TX_SUPERELE); in mc188n()
243 if(idyn == 2) x[index]= xsp; in mc188n()
244 if(idyn == 2) y[index]= ysp; in mc188n()
245 if(idyn == 2) z[index]= zsp; in mc188n()
250 if(idyn == 1) in mc188n()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_space_wtrst.F32 integer idyn,idynp,ihop
137 idyn=iand(ibw(i),12)/4
139 write(lfnrst,1007) idynp,idyn,(brw(i,k),k=1,3)
209 idyn=iand(ibs(i,1),12)/4
218 write(lfnrst,1008) idynp,idyn,(bxs(i,j),j=1,3),(bvs(i,j),j=1,3),
221 write(lfnrst,1008) idynp,idyn,(bxs(i,j),j=1,3),(zero,j=1,3),ihop
H A Dargos_space_prt_s.F18 integer i,j,k,number,icyc,ncyc,node,nums,nsan,idyn,ism,iss
149 idyn=iand(ibs(i),3)
151 write(lfnout,1009) ism,iss,cat,idyn,
155 write(lfnout,1010) ism,iss,cat,idyn,
H A Dargos_cafe_fsh.F2 + natoms,ndim,igan,isgm,imol,idyn,ichg,chg,xs,fs,ess,lpbc,lpbcs,
56 integer igan(ndim),imol(ndim),idyn(ndim),ichg(ndim)
115 if(iand(idyn(isa),mdynam).eq.ldynam) ifacu=ifacu+1
116 if(iand(idyn(jsa),mdynam).eq.ldynam) ifacu=ifacu+1
117 if(iand(idyn(ksa),mdynam).eq.ldynam) ifacu=ifacu+1
360 if(iand(idyn(isa),mdynam).eq.ldynam.or.
361 + iand(idyn(ksa),mdynam).eq.ldynam) factu=one
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_space_wtrst.F32 integer idyn,idynp,ihop
137 idyn=iand(ibw(i),12)/4
139 write(lfnrst,1007) idynp,idyn,(brw(i,k),k=1,3)
209 idyn=iand(ibs(i,1),12)/4
218 write(lfnrst,1008) idynp,idyn,(bxs(i,j),j=1,3),(bvs(i,j),j=1,3),
221 write(lfnrst,1008) idynp,idyn,(bxs(i,j),j=1,3),(zero,j=1,3),ihop
H A Dargos_space_prt_s.F18 integer i,j,k,number,icyc,ncyc,node,nums,nsan,idyn,ism,iss
149 idyn=iand(ibs(i),3)
151 write(lfnout,1009) ism,iss,cat,idyn,
155 write(lfnout,1010) ism,iss,cat,idyn,
H A Dargos_cafe_fsh.F2 + natoms,ndim,igan,isgm,imol,idyn,ichg,chg,xs,fs,ess,lpbc,lpbcs, argument
56 integer igan(ndim),imol(ndim),idyn(ndim),ichg(ndim) local
115 if(iand(idyn(isa),mdynam).eq.ldynam) ifacu=ifacu+1
116 if(iand(idyn(jsa),mdynam).eq.ldynam) ifacu=ifacu+1
117 if(iand(idyn(ksa),mdynam).eq.ldynam) ifacu=ifacu+1
360 if(iand(idyn(isa),mdynam).eq.ldynam.or.
361 + iand(idyn(ksa),mdynam).eq.ldynam) factu=one

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