/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_diana_grpcogang.F | 1 subroutine argos_diana_grpcogang(sgmnam,imol,isel,wt,x,igr) argument 13 integer isel(nsa),igr,imol(msa) 28 igrp=igroups(igr,1) 29 jgrp=igroups(igr,2) 30 kgrp=igroups(igr,3) 75 if(igroups(igr,6).gt.0) then 76 do 6 i=1,igroups(igr,6) 104 write(lfngrp,1001) igr,igroups(igr,5),phi
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H A D | argos_cafe_lss.F | 1 subroutine argos_cafe_lss(lself,lpbc,lpbcs,xs,iga,idt,igr, argument 19 integer list(msa,3),iga(msa),igr(msa),idt(msa),iss(msa),isz(msa) 229 if(lstype.eq.1.and.igr(isa+1).eq.igr(isa)) then 263 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,1).eq.1) 267 if(igr(jsa).eq.igr(jsa+1).and.list(jsa+1,1).eq.1) 284 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,2).eq.1) 288 if(igr(jsa).eq.igr(jsa+1).and.list(jsa+1,2).eq.1)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_diana_grpcogang.F | 1 subroutine argos_diana_grpcogang(sgmnam,imol,isel,wt,x,igr) argument 13 integer isel(nsa),igr,imol(msa) 28 igrp=igroups(igr,1) 29 jgrp=igroups(igr,2) 30 kgrp=igroups(igr,3) 75 if(igroups(igr,6).gt.0) then 76 do 6 i=1,igroups(igr,6) 104 write(lfngrp,1001) igr,igroups(igr,5),phi
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H A D | argos_cafe_lss.F | 1 subroutine argos_cafe_lss(lself,lpbc,lpbcs,xs,iga,idt,igr, argument 19 integer list(msa,3),iga(msa),igr(msa),idt(msa),iss(msa),isz(msa) local 229 if(lstype.eq.1.and.igr(isa+1).eq.igr(isa)) then 263 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,1).eq.1) 267 if(igr(jsa).eq.igr(jsa+1).and.list(jsa+1,1).eq.1) 284 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,2).eq.1) 288 if(igr(jsa).eq.igr(jsa+1).and.list(jsa+1,2).eq.1)
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/dports/science/xtb/xtb-6.4.1/src/io/writer/ |
H A D | turbomole.f90 | 58 integer :: ien, igr, igl local 63 igr = unit 70 call open_file(igr, "gradient", "w") 85 call writeGradientTurbomole(igr, mol%xyz, mol%sym, en, gradient) 103 write(igr, '("$end")') 104 call close_file(igr)
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/dports/science/cgnslib/CGNS-4.1.2/src/Test_UserGuideCode/Fortran_code/ |
H A D | read_bcpnts_unst.F90 | 34 integer igr,ib,nbocos variable 53 call cg_gridlocation_read_f(igr,ier) 54 if (igr .eq. FaceCenter) then
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/dports/science/cgnslib/CGNS-4.1.2/src/Test_UserGuideCode/C_code/ |
H A D | read_bcpnts_unst.c | 41 CGNS_ENUMT(GridLocation_t) igr; in main() 59 cg_gridlocation_read(&igr); in main() 60 if (igr == CGNS_ENUMV(FaceCenter)) in main()
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/dports/science/xcrysden/xcrysden-1.6.2/Tcl/ |
H A D | openInput.tcl | 351 set igr [button $t.b4 -text "Group" \ 369 pack $spe $igr $ifhr $ifso $par $coor $view $close \ 377 pack $spe $igr $par $coor $view $close -fill x -expand 1 \ 380 pack $spe $igr $coor $view $close -fill x -expand 1 \ 415 set igr $n 424 if ![info exists igr] { return "\"$agr\" is not a standard space group" } 425 return $igr 429 proc Igr2Agr {igr comm} { 438 if { $igr == $n } {
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/ |
H A D | cf_list.F | 351 subroutine cf_lss(lself,lpbc,lpbcs,xs,iga,idt,igr,isgm,iss,ish, argument 369 integer list(msa,3),iga(msa),igr(msa),idt(msa),iss(msa),isz(msa) 699 if(lstype.eq.1.and.igr(isa+1).eq.igr(isa)) then 733 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,1).eq.1) 737 if(igr(jsa).eq.igr(jsa+1).and.list(jsa+1,1).eq.1) 743 if(igr(jsa).eq.igr(jsa-1)) then 751 if(igr(jsa).eq.igr(jsa+1)) then 759 if(igr(jsa).eq.igr(jsa-1)) then 767 if(igr(jsa).eq.igr(jsa+1)) then 788 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,2).eq.1) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/ |
H A D | cf_list.F | 351 subroutine cf_lss(lself,lpbc,lpbcs,xs,iga,idt,igr,isgm,iss,ish, argument 369 integer list(msa,3),iga(msa),igr(msa),idt(msa),iss(msa),isz(msa) 699 if(lstype.eq.1.and.igr(isa+1).eq.igr(isa)) then 733 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,1).eq.1) 737 if(igr(jsa).eq.igr(jsa+1).and.list(jsa+1,1).eq.1) 743 if(igr(jsa).eq.igr(jsa-1)) then 751 if(igr(jsa).eq.igr(jsa+1)) then 759 if(igr(jsa).eq.igr(jsa-1)) then 767 if(igr(jsa).eq.igr(jsa+1)) then 788 if(igr(jsa).eq.igr(jsa-1).and.list(jsa-1,2).eq.1) [all …]
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/dports/net-mgmt/bosun/bosun-0.9.0-preview/vendor/github.com/vdobler/chart/example/ |
H A D | samplecharts.go | 88 c.Plot(igr) 881 igr.Line(x0, y0, x0+160, y0, style) 888 igr.Line(x0+40, y0-5, x0+40, y0+174, style) 890 igr.Line(x0+80, y0-5, x0+80, y0+174, style) 913 igr.Line(x0+d, y0, x0+d+40, y0, style) 928 igr.Line(x0, y0, x0+160, y0, style) 940 igr.Line(x0, y0, x0+160, y0, style) 984 igr.Rect(x0, y0, w, h, style) 1008 igr.Symbol(x0, y0, style) 1029 igr.Line(x0-100, y0, x0+100, y0, style) [all …]
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/dports/science/xdrawchem/xdrawchem-a3f74c34eb09fa72ee16848ec6901049ca5309d5/xdrawchem/ |
H A D | sdg.h | 700 igr = ring->size(); in positionRingSubstituents() 703 if (km >= igr) in positionRingSubstituents() 707 if (km >= igr) in positionRingSubstituents() 1212 rad = bondLength / 2 / sin(ph * (180.0 / igr)); in positionAtomSubstituents() 1481 igr = 0; in handleRestOfRingSubstituents() 1530 int i = 0, id = 0, igr = 0, ihil = 0, ir = 0, iz = 0; in positionAtom() local 1596 igr = 30; in positionAtom() 1609 if ((id != 2) || (ll > igr)) in positionAtom() 1611 igr = ll; in positionAtom() 1633 ilist[0] = igr; in positionAtom() [all …]
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/dports/graphics/opencv/opencv-4.5.3/modules/gapi/src/compiler/passes/ |
H A D | streaming.cpp | 47 auto igr = gm.metadata().get<IslandModel>().model; in addStreaming() local 48 GIslandModel::Graph igm(*igr); in addStreaming()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/ |
H A D | task_smd_energy.F | 22 integer i,nr,igr local 150 integer i,nr,igr local 242 integer i,nr,igr local
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/ |
H A D | task_smd_energy.F | 22 integer i,nr,igr local 150 integer i,nr,igr local 242 integer i,nr,igr local
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/dports/chinese/tintin++/tt/ |
H A D | CREDITS | 16 2004-2019 Igor van den Hoven see mods/igr.mods 37 igr.mods feb 2004
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/dports/net/tintin++/tt/ |
H A D | CREDITS | 16 2004-2019 Igor van den Hoven see mods/igr.mods 37 igr.mods feb 2004
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/dports/math/freefem++/FreeFem-sources-4.6/plugin/seq/ |
H A D | bmo.cpp | 308 integer igc, igr; in gradopt() local 318 for (igr = 1; igr <= nbgrad; ++igr) { in gradopt() 328 if (igc == 1 && igr >= 2 && xnorm > 1e-10) { in gradopt() 359 if (igr == 1) { in gradopt()
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/dports/math/py-statsmodels/statsmodels-0.13.1/statsmodels/sandbox/panel/ |
H A D | panelmod.py | 71 for igr in range(nre): 72 group = groups[:,igr:igr+1] 74 dummygr = sigmas[igr] * (group == groupuniq).astype(float)
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/dports/lang/php73/php-7.3.33/ext/phar/tests/ |
H A D | bug65028.phpt | 99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php", 100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php", 101 "modules/igr/setup/config.xml",
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/dports/archivers/php80-phar/php-8.0.15/ext/phar/tests/ |
H A D | bug65028.phpt | 99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php", 100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php", 101 "modules/igr/setup/config.xml",
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/dports/archivers/php73-phar/php-7.3.33/ext/phar/tests/ |
H A D | bug65028.phpt | 99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php", 100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php", 101 "modules/igr/setup/config.xml",
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/dports/archivers/php74-phar/php-7.4.27/ext/phar/tests/ |
H A D | bug65028.phpt | 99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php", 100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php", 101 "modules/igr/setup/config.xml",
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/dports/archivers/php81-phar/php-8.1.1/ext/phar/tests/ |
H A D | bug65028.phpt | 99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php", 100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php", 101 "modules/igr/setup/config.xml",
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/dports/www/mod_php81/php-8.1.1/ext/phar/tests/ |
H A D | bug65028.phpt | 99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php", 100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php", 101 "modules/igr/setup/config.xml",
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