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Searched refs:iiorb (Results 1 – 6 of 6) sorted by relevance

/dports/science/siesta/siesta-4.1.5/Src/
H A Dgeom_helper.f9068 integer :: ia, iiorb, na local
77 iiorb = ucorb(iorb,lasto(na+1))
86 ia = max(1,min(int(real(iiorb,dp) / lasto(2)),na))
89 if ( iiorb < lasto(ia) ) then
93 else if ( iiorb > lasto(ia+1) ) then
97 else if ( iiorb == lasto(ia) ) then
/dports/science/luscus/luscus_0.8.6/
H A Dgv_gtk_multiview.c1118 gint iiorb = GPOINTER_TO_INT(data); in luscus_init_orb_sub_callback() local
1125 iorb = iiorb; in luscus_init_orb_sub_callback()
1162 od[iiorb].olist = glGenLists(1); in luscus_init_orb_sub_callback()
1163 glNewList(od[iiorb].olist, GL_COMPILE); in luscus_init_orb_sub_callback()
1178 if(iiorb < m->ngrids-1) in luscus_init_orb_sub_callback()
1277 void redraw_list(int iiorb) in redraw_list() argument
1288 glDeleteLists(od[iiorb].olist, 1); in redraw_list()
1289 od[iiorb].olist = glGenLists(1); in redraw_list()
1291 glNewList(od[iiorb].olist, GL_COMPILE); in redraw_list()
1297 if(j==iiorb) {currentview=i; break;} in redraw_list()
[all …]
H A Dgv_notebook.c2904 gint iiorb = 0; in luscus_gtk_find_selected_orbital() local
2911 if (m->grid_symmetry[iiorb] == test_sym && m->grid_index[iiorb] == test_orbnum) next = FALSE; in luscus_gtk_find_selected_orbital()
2912 else iiorb++; in luscus_gtk_find_selected_orbital()
2913 if (iiorb >= m->ngrids) return TRUE; in luscus_gtk_find_selected_orbital()
2916 iorb = iiorb; in luscus_gtk_find_selected_orbital()
/dports/science/multiwfn/gMultiwfn-3.4.1-0-14-ge873677/src/
H A Dfuzzyana.f901578 do iiorb=1,nmatsize
1579 if (MOocc(iiorb)==0D0) cycle
1582 AOM(norb,iiorb,cenind(6))*AOM(iiorb,iorb,cenind(7))
1604 do iiorb=1,nmatsize
1605 if (MOocc(iiorb)==0D0) cycle
1610 AOM(norb,iiorb,cenind(6))*AOM(iiorb,jjorb,cenind(7))*AOM(jjorb,iorb,cenind(8))
1633 do iiorb=1,nmatsize
1634 if (MOocc(iiorb)==0D0) cycle
1641 …AOM(norb,iiorb,cenind(6))*AOM(iiorb,jjorb,cenind(7))*AOM(jjorb,kkorb,cenind(8))*AOM(kkorb,iorb,cen…
1665 do iiorb=1,nmatsize
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/include/
H A Dinforb.h48 iiish[8],iiash[8],iiorb[8],iibas[8],i2orb[8],i2bas[8],
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/pcm/
H A Dpcm_scf.F90125 j1mo = 1 + iiorb(isym)