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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_diana_grpcogang.F1 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
H A Dargos_cafe_lss.F1 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_diana_grpcogang.F1 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
H A Dargos_cafe_lss.F1 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)
/dports/science/xtb/xtb-6.4.1/src/io/writer/
H A Dturbomole.f9058 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)
/dports/science/cgnslib/CGNS-4.1.2/src/Test_UserGuideCode/Fortran_code/
H A Dread_bcpnts_unst.F9034 integer igr,ib,nbocos variable
53 call cg_gridlocation_read_f(igr,ier)
54 if (igr .eq. FaceCenter) then
/dports/science/cgnslib/CGNS-4.1.2/src/Test_UserGuideCode/C_code/
H A Dread_bcpnts_unst.c41 CGNS_ENUMT(GridLocation_t) igr; in main()
59 cg_gridlocation_read(&igr); in main()
60 if (igr == CGNS_ENUMV(FaceCenter)) in main()
/dports/science/xcrysden/xcrysden-1.6.2/Tcl/
H A DopenInput.tcl351 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 } {
/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/
H A Dcf_list.F351 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/
H A Dcf_list.F351 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 …]
/dports/net-mgmt/bosun/bosun-0.9.0-preview/vendor/github.com/vdobler/chart/example/
H A Dsamplecharts.go88 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 …]
/dports/science/xdrawchem/xdrawchem-a3f74c34eb09fa72ee16848ec6901049ca5309d5/xdrawchem/
H A Dsdg.h700 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 …]
/dports/graphics/opencv/opencv-4.5.3/modules/gapi/src/compiler/passes/
H A Dstreaming.cpp47 auto igr = gm.metadata().get<IslandModel>().model; in addStreaming() local
48 GIslandModel::Graph igm(*igr); in addStreaming()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-subgroups/
H A Dtask_smd_energy.F22 integer i,nr,igr local
150 integer i,nr,igr local
242 integer i,nr,igr local
/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-subgroups/
H A Dtask_smd_energy.F22 integer i,nr,igr local
150 integer i,nr,igr local
242 integer i,nr,igr local
/dports/chinese/tintin++/tt/
H A DCREDITS16 2004-2019 Igor van den Hoven see mods/igr.mods
37 igr.mods feb 2004
/dports/net/tintin++/tt/
H A DCREDITS16 2004-2019 Igor van den Hoven see mods/igr.mods
37 igr.mods feb 2004
/dports/math/freefem++/FreeFem-sources-4.6/plugin/seq/
H A Dbmo.cpp308 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()
/dports/math/py-statsmodels/statsmodels-0.13.1/statsmodels/sandbox/panel/
H A Dpanelmod.py71 for igr in range(nre):
72 group = groups[:,igr:igr+1]
74 dummygr = sigmas[igr] * (group == groupuniq).astype(float)
/dports/lang/php73/php-7.3.33/ext/phar/tests/
H A Dbug65028.phpt99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php",
100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php",
101 "modules/igr/setup/config.xml",
/dports/archivers/php80-phar/php-8.0.15/ext/phar/tests/
H A Dbug65028.phpt99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php",
100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php",
101 "modules/igr/setup/config.xml",
/dports/archivers/php73-phar/php-7.3.33/ext/phar/tests/
H A Dbug65028.phpt99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php",
100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php",
101 "modules/igr/setup/config.xml",
/dports/archivers/php74-phar/php-7.4.27/ext/phar/tests/
H A Dbug65028.phpt99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php",
100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php",
101 "modules/igr/setup/config.xml",
/dports/archivers/php81-phar/php-8.1.1/ext/phar/tests/
H A Dbug65028.phpt99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php",
100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php",
101 "modules/igr/setup/config.xml",
/dports/www/mod_php81/php-8.1.1/ext/phar/tests/
H A Dbug65028.phpt99 "modules/igr/boxes/igrGreatestEntriesBoxTab.php",
100 "modules/igr/boxes/igrTopRatedEntriesBoxTab.php",
101 "modules/igr/setup/config.xml",

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