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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/
H A Dmc_ensembles.F293 initial_energy(ibox) = old_energy(ibox)
312 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
350 bias_energy(ibox) = last_bias_energy(ibox)
418 CALL set_mc_par(mc_par(ibox)%mc_par, cl=cl(ibox), rm=rm(ibox), &
495 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
523 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
543 bias_energy(ibox) = last_bias_energy(ibox)
868 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
927 abc(1, ibox)*abc(2, ibox)*abc(3, ibox)/ &
1039 IF (ABS(initial_energy(ibox) + energy_check(ibox) - &
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H A Dmc_ge_moves.F204 new_energy(ibox) = old_energy(ibox)
217 WRITE (diff(ibox), *) nchains(:, ibox)
320 energy_check(ibox) = energy_check(ibox) + &
322 old_energy(ibox) = new_energy(ibox)
1032 energy_check(ibox) = energy_check(ibox) + (new_energy(ibox) - &
1034 old_energy(ibox) = new_energy(ibox)
1225 old_cell_length(1:3, ibox) = abc(1:3, ibox)
1344 volume_new(ibox) = new_cell_length(1, ibox)* &
1346 volume_old(ibox) = old_cell_length(1, ibox)* &
1390 energy_check(ibox) = energy_check(ibox) + (new_energy(ibox) - &
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H A Dmc_run.F189 DO ibox = 1, nboxes
211 IF (ibox == 1) THEN
225 IF (ibox == 1) THEN
245 CALL read_mc_restart(mc_par(ibox)%mc_par, force_env(ibox)%force_env, &
258 DO ibox = 1, nboxes
263 box_number = ibox
273 DO ibox = 1, nboxes
294 DO ibox = 1, nboxes
299 CALL set_mc_env(mc_env(ibox)%mc_env, mc_par=mc_par(ibox)%mc_par, &
318 DO ibox = 1, nboxes
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/
H A Dmc_ensembles.F294 initial_energy(ibox) = old_energy(ibox)
313 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
351 bias_energy(ibox) = last_bias_energy(ibox)
419 CALL set_mc_par(mc_par(ibox)%mc_par, cl=cl(ibox), rm=rm(ibox), &
496 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
524 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
544 bias_energy(ibox) = last_bias_energy(ibox)
869 CALL get_cell(cell(ibox)%cell, abc=abc(:, ibox))
928 abc(1, ibox)*abc(2, ibox)*abc(3, ibox)/ &
1040 IF (ABS(initial_energy(ibox) + energy_check(ibox) - &
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H A Dmc_ge_moves.F205 new_energy(ibox) = old_energy(ibox)
218 WRITE (diff(ibox), *) nchains(:, ibox)
321 energy_check(ibox) = energy_check(ibox) + &
323 old_energy(ibox) = new_energy(ibox)
1033 energy_check(ibox) = energy_check(ibox) + (new_energy(ibox) - &
1035 old_energy(ibox) = new_energy(ibox)
1226 old_cell_length(1:3, ibox) = abc(1:3, ibox)
1345 volume_new(ibox) = new_cell_length(1, ibox)* &
1347 volume_old(ibox) = old_cell_length(1, ibox)* &
1391 energy_check(ibox) = energy_check(ibox) + (new_energy(ibox) - &
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H A Dmc_run.F191 DO ibox = 1, nboxes
213 IF (ibox == 1) THEN
227 IF (ibox == 1) THEN
247 CALL read_mc_restart(mc_par(ibox)%mc_par, force_env(ibox)%force_env, &
260 DO ibox = 1, nboxes
265 box_number = ibox
275 DO ibox = 1, nboxes
296 DO ibox = 1, nboxes
301 CALL set_mc_env(mc_env(ibox)%mc_env, mc_par=mc_par(ibox)%mc_par, &
320 DO ibox = 1, nboxes
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dprojwfc_box.f90100 irmin(i,ibox)=mod(irmin(i,ibox),nri(i))
101 IF (irmin(i,ibox)<=0) irmin(i,ibox)=irmin(i,ibox)+nri(i)
102 irmax(i,ibox)=mod(irmax(i,ibox),nri(i))
103 IF (irmax(i,ibox)<=0) irmax(i,ibox)=irmax(i,ibox)+nri(i)
105 IF (irmin(i,ibox)<=irmax(i,ibox)) THEN
106 isInside(ir,i)=(ir>=irmin(i,ibox)).and.(ir<=irmax(i,ibox))
108 isInside(ir,i)=(ir>=irmin(i,ibox)).or. (ir<=irmax(i,ibox))
181 boxvolume(ibox) = sum(thetathisproc(1:dfftp%nnr,ibox))
196 boxcharge(ibox) = DDOT(dfftp%nnr,raux(:),1,thetathisproc(:,ibox),1) &
207 ibox, 100* boxvolume(ibox) /(dfftp%nr1*dfftp%nr2*dfftp%nr3), &
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/
H A Dgmx_sham.cpp65 return (ibox[1] * x + y); in index2()
70 return (ibox[2] * (ibox[1] * x + y) + z); in index3()
85 dd = dd * ibox[kk]; in indexn()
147 xm->Nx = ibox[XX]; in write_xplor()
148 xm->Ny = ibox[YY]; in write_xplor()
149 xm->Nz = ibox[ZZ]; in write_xplor()
536 len = len * ibox[i]; in do_sham()
705 maxbox = std::max(ibox[0], std::max(ibox[1], ibox[2])); in do_sham()
734 snew(PP, ibox[0]); in do_sham()
788 nxyz[XX] = imin / (ibox[1] * ibox[2]); in do_sham()
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/dports/science/octopus/octopus-10.5/src/ions/
H A Dbox_union.F9055 integer :: ibox local
62 do ibox = 1,n_boxes
63 call box_copy(union%boxes(ibox), boxes(ibox))
73 integer :: ibox local
77 do ibox = 1, union%n_boxes
78 call box_end(union%boxes(ibox))
95 integer :: ibox
102 do ibox = 1, union%n_boxes
117 integer :: ibox
122 do ibox = 1, union%n_boxes
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/dports/x11-wm/enlightenment/enlightenment-0.24.2/src/modules/ibox/
H A De_mod_main.c58 IBox *ibox; member
189 inst->ibox = b; in _gc_init()
527 ic->ibox = b; in _ibox_icon_new()
655 ibox = eina_list_append(ibox, inst->ibox); in _ibox_zone_find()
657 ibox = eina_list_append(ibox, inst->ibox); in _ibox_zone_find()
659 return ibox; in _ibox_zone_find()
872 elm_box_unpack(inst->ibox->o_box, inst->ibox->o_drop); in _ibox_drop_position_update()
895 else elm_box_pack_end(inst->ibox->o_box, inst->ibox->o_drop); in _ibox_drop_position_update()
1030 Eina_List *ibox; in _ibox_cb_event_client_add() local
1059 Eina_List *ibox; in _ibox_cb_event_client_remove() local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dmdiis.f9066 ALLOCATE(mdiist%ibox(mbox))
91 IF(ASSOCIATED(mdiist%ibox)) DEALLOCATE(mdiist%ibox)
127 mdiist%ibox(1) = 1
227 ibox1 = mdiist%ibox(1)
233 mdiist%ibox(i - 1) = mdiist%ibox(i)
249 ibox2 = mdiist%ibox(i)
263 ibox2 = mdiist%ibox(i)
339 ibox2 = mdiist%ibox(i2)
341 ibox1 = mdiist%ibox(i1)
359 ibox1 = mdiist%ibox(i1)
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/dports/science/hypre/hypre-2.23.0/src/struct_mv/
H A Dbox_boundary.c47 hypre_Box *bbox, *ibox; in hypre_BoxBoundaryIntersect() local
77 ibox = hypre_BoxArrayBox(int_boxes, i); in hypre_BoxBoundaryIntersect()
79 entries[i], hypre_BoxIMin(ibox), hypre_BoxIMax(ibox)); in hypre_BoxBoundaryIntersect()
80 hypre_BoxIMinD(ibox, d) -= dir; in hypre_BoxBoundaryIntersect()
81 hypre_BoxIMaxD(ibox, d) -= dir; in hypre_BoxBoundaryIntersect()
158 hypre_Box *bbox, *ibox; in hypre_GeneralBoxBoundaryIntersect() local
195 ibox = hypre_BoxArrayBox(int_boxes, i); in hypre_GeneralBoxBoundaryIntersect()
197 entries[i], hypre_BoxIMin(ibox), hypre_BoxIMax(ibox)); in hypre_GeneralBoxBoundaryIntersect()
200 hypre_BoxIMinD(ibox, j) -= dd[j]; in hypre_GeneralBoxBoundaryIntersect()
201 hypre_BoxIMaxD(ibox, j) -= dd[j]; in hypre_GeneralBoxBoundaryIntersect()
/dports/science/packmol/packmol-18.169/
H A Dresetboxes.f9016 integer :: i, j, k, ibox local
20 ibox = lboxfirst
21 do while( ibox > 0 )
22 call ibox_to_ijk(ibox,i,j,k)
25 ibox = lboxnext(ibox)
H A Dcomputef.f9016 integer :: n, i, j, k, ibox local
112 lboxnext(ibox) = lboxfirst
113 lboxfirst = ibox
158 ibox = lboxfirst
159 do while( ibox > 0 )
161 call ibox_to_ijk(ibox,i,j,k)
199 ibox = lboxnext(ibox)
210 integer :: ibox, i, j, k local
214 call ijk_to_ibox(i,j,k,ibox)
215 lboxnext(ibox) = lboxfirst
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H A Dsetijk.f9016 integer :: ibox, i, j, k, iibox local
18 k = mod(ibox,nb2(3))
21 iibox = ibox - k
41 integer :: i, j, k, ibox local
43 ibox = i*nb2(2)*nb2(3) + j*nb2(3) + k + 1
/dports/mail/dovecot/dovecot-2.3.17/src/lib-storage/index/
H A Dindex-storage.c120 ibox->last_notify_type == notify_type) { in index_storage_lock_notify()
131 ibox->last_notify_type = notify_type; in index_storage_lock_notify()
310 index_flags = ibox->index_flags; in index_storage_mailbox_open()
395 struct index_mailbox_context *ibox; in index_storage_mailbox_alloc() local
460 ibox->keyword_names = NULL; in index_storage_mailbox_close()
461 i_free_and_null(ibox->cache_fields); in index_storage_mailbox_close()
463 ibox->sync_last_check = 0; in index_storage_mailbox_close()
1138 if (ibox->vsize_update != NULL) in index_storage_expunging_init()
1151 if (ibox->vsize_update != NULL) in index_storage_expunging_deinit()
1160 i_assert(ibox->vsize_update == NULL); in index_storage_expunging_want_updates()
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/dports/cad/feappv/feappv-4.1i/program/
H A Dtienod.f54 integer ibox(0:1000),jbox(1000),lbuck(8)
126 ibox(j) = 0
133 ibox(nn) = ibox(nn) + 1
140 ibox(i) = ibox(i-1) + ibox(i)
141 jbox(i) = ibox(i-1)
188 do k1 = ibox(nn-1)+1,ibox(nn)
247 k2 = ibox(ni-1) + 1
252 do j1 = k2,ibox(ni)
264 do i1 = ibox(ni-1)+1,ibox(ni)
/dports/print/lyx/lyx-2.3.4.2/src/frontends/qt4/
H A DGuiBox.cpp194 setSpecial(ibox); in on_innerBoxCO_activated()
215 setSpecial(ibox); in on_typeCO_activated()
332 valignCO->setEnabled(ibox); in paramsToDialog()
333 ialignCO->setEnabled(ibox); in paramsToDialog()
334 setSpecial(ibox); in paramsToDialog()
386 heightCB->setEnabled(ibox); in paramsToDialog()
532 valignCO->setEnabled(ibox); in checkWidgets()
533 ialignCO->setEnabled(ibox); in checkWidgets()
536 heightCB->setEnabled(ibox); in checkWidgets()
566 heightCB->setEnabled(ibox); in checkWidgets()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_space_btop.F1 integer function argos_space_btop(ibox,ibownr)
7 integer ibox,ibownr(maxbox,3)
10 iboxx=mod(ibox,nbx)
11 iboxy=mod((ibox-iboxx)/nbx,nby)
12 iboxz=((ibox-iboxx)/nbx-iboxy)/nby
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_space_btop.F1 integer function argos_space_btop(ibox,ibownr)
7 integer ibox,ibownr(maxbox,3)
10 iboxx=mod(ibox,nbx)
11 iboxy=mod((ibox-iboxx)/nbx,nby)
12 iboxz=((ibox-iboxx)/nbx-iboxy)/nby
/dports/security/keybase/client-v5.7.1/go/chat/storage/
H A Dinbox_memcache.go31 if ibox, ok := i.versMap[uid.String()]; ok {
32 return ibox
37 func (i *inboxMemCacheImpl) PutVersions(uid gregor1.UID, ibox *inboxDiskVersions) {
40 i.versMap[uid.String()] = ibox
46 if ibox, ok := i.indexMap[uid.String()]; ok {
47 ret := ibox.DeepCopy()
53 func (i *inboxMemCacheImpl) PutIndex(uid gregor1.UID, ibox *inboxDiskIndex) {
56 i.indexMap[uid.String()] = ibox
/dports/print/ghostscript9-x11/ghostscript-9.06/base/
H A Dgdevbbox.c819 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
846 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_fill_path()
847 ibox.q.x, ibox.q.y) in bbox_fill_path()
860 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
903 ibox.p.x = ibox.p.y = min_fixed; in bbox_stroke_path()
904 ibox.q.x = ibox.q.y = max_fixed; in bbox_stroke_path()
911 ibox.q.x, ibox.q.y) in bbox_stroke_path()
923 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_stroke_path()
1129 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_image_plane_data()
1130 ibox.q.x, ibox.q.y) in bbox_image_plane_data()
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/dports/print/ghostscript9-base/ghostscript-9.06/base/
H A Dgdevbbox.c819 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
846 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_fill_path()
847 ibox.q.x, ibox.q.y) in bbox_fill_path()
860 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
903 ibox.p.x = ibox.p.y = min_fixed; in bbox_stroke_path()
904 ibox.q.x = ibox.q.y = max_fixed; in bbox_stroke_path()
911 ibox.q.x, ibox.q.y) in bbox_stroke_path()
923 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_stroke_path()
1129 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_image_plane_data()
1130 ibox.q.x, ibox.q.y) in bbox_image_plane_data()
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/dports/print/ghostscript8-base/ghostscript-8.71/base/
H A Dgdevbbox.c767 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
794 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_fill_path()
795 ibox.q.x, ibox.q.y) in bbox_fill_path()
808 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
851 ibox.p.x = ibox.p.y = min_fixed; in bbox_stroke_path()
852 ibox.q.x = ibox.q.y = max_fixed; in bbox_stroke_path()
859 ibox.q.x, ibox.q.y) in bbox_stroke_path()
871 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_stroke_path()
1077 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_image_plane_data()
1078 ibox.q.x, ibox.q.y) in bbox_image_plane_data()
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/dports/print/ghostscript8-x11/ghostscript-8.71/base/
H A Dgdevbbox.c767 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
794 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_fill_path()
795 ibox.q.x, ibox.q.y) in bbox_fill_path()
808 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_fill_path()
851 ibox.p.x = ibox.p.y = min_fixed; in bbox_stroke_path()
852 ibox.q.x = ibox.q.y = max_fixed; in bbox_stroke_path()
859 ibox.q.x, ibox.q.y) in bbox_stroke_path()
871 BBOX_ADD_RECT(bdev, ibox.p.x, ibox.p.y, ibox.q.x, ibox.q.y); in bbox_stroke_path()
1077 !gx_cpath_includes_rectangle(pcpath, ibox.p.x, ibox.p.y, in bbox_image_plane_data()
1078 ibox.q.x, ibox.q.y) in bbox_image_plane_data()
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