/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | mc_ensembles.F | 293 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) - & [all …]
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H A D | mc_ge_moves.F | 204 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) - & [all …]
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H A D | mc_run.F | 189 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 [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | mc_ensembles.F | 294 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) - & [all …]
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H A D | mc_ge_moves.F | 205 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) - & [all …]
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H A D | mc_run.F | 191 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 [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | projwfc_box.f90 | 100 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), & [all …]
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/ |
H A D | gmx_sham.cpp | 65 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() [all …]
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/dports/science/octopus/octopus-10.5/src/ions/ |
H A D | box_union.F90 | 55 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 [all …]
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/dports/x11-wm/enlightenment/enlightenment-0.24.2/src/modules/ibox/ |
H A D | e_mod_main.c | 58 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 [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | mdiis.f90 | 66 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) [all …]
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/dports/science/hypre/hypre-2.23.0/src/struct_mv/ |
H A D | box_boundary.c | 47 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()
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/dports/science/packmol/packmol-18.169/ |
H A D | resetboxes.f90 | 16 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)
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H A D | computef.f90 | 16 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 [all …]
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H A D | setijk.f90 | 16 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
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/dports/mail/dovecot/dovecot-2.3.17/src/lib-storage/index/ |
H A D | index-storage.c | 120 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() [all …]
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/dports/cad/feappv/feappv-4.1i/program/ |
H A D | tienod.f | 54 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)
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/dports/print/lyx/lyx-2.3.4.2/src/frontends/qt4/ |
H A D | GuiBox.cpp | 194 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() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_space_btop.F | 1 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_space_btop.F | 1 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
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/dports/security/keybase/client-v5.7.1/go/chat/storage/ |
H A D | inbox_memcache.go | 31 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
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/dports/print/ghostscript9-x11/ghostscript-9.06/base/ |
H A D | gdevbbox.c | 819 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() [all …]
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/dports/print/ghostscript9-base/ghostscript-9.06/base/ |
H A D | gdevbbox.c | 819 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() [all …]
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/dports/print/ghostscript8-base/ghostscript-8.71/base/ |
H A D | gdevbbox.c | 767 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() [all …]
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/dports/print/ghostscript8-x11/ghostscript-8.71/base/ |
H A D | gdevbbox.c | 767 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() [all …]
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