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Searched refs:forb (Results 1 – 25 of 201) sorted by relevance

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/dports/science/gabedit/GabeditSrc251_300720/src/Display/
H A DBasis.c58 if(forb == NULL) in ReadCommandLines()
60 while(!feof(forb)) in ReadCommandLines()
77 if(forb == NULL) in OpenDataFile()
264 if(forb == NULL) in DefineBasisType()
272 while(!feof(forb)) in DefineBasisType()
301 if(forb !=NULL) in DefineBasisType()
427 while(!feof(forb)) in getNumberOfBasisCenters()
438 fclose(forb); in getNumberOfBasisCenters()
465 fclose(forb); in getNumberOfBasisCenters()
491 if(forb == NULL) in DefineGabeditMoldenBasisType()
[all …]
H A DOrbitalsOrca.c215 { char* e = fgets(t,BSIZE,forb);} in ReadOneOrcaBasis()
328 forb = FOpen(fileName, "rb"); in DefineOrcaBasisType()
329 if(forb == NULL) in DefineOrcaBasisType()
338 while(!feof(forb)) in DefineOrcaBasisType()
340 if(!fgets(t,BSIZE,forb))break; in DefineOrcaBasisType()
378 while(!feof(forb) && nAtoms<nGroups) in DefineOrcaBasisType()
380 if(!fgets(t,BSIZE,forb)) break; in DefineOrcaBasisType()
381 if(strstr(t,"# Basis set for element :") && fgets(t,BSIZE,forb) && strstr(t,"NewGTO")) in DefineOrcaBasisType()
399 while(!feof(forb)) in DefineOrcaBasisType()
401 { char* e = fgets(t,BSIZE,forb);} in DefineOrcaBasisType()
H A DGlobalOrb.h80 FILE* forb; variable
/dports/lang/cfortran/cfortran-4.3/eg/ss1/
H A Dss1.c19 static char b[] = "abcdefghij", forb[13] = "abcdefghijkl"; in PROTOCCALLSFSUB1() local
20 SS1(b); FORSTR1(forb); in PROTOCCALLSFSUB1()
21 printf("SS1(b) returns b = %s; FORSTR1(forb) = returns forb = %s;\n", b, forb); in PROTOCCALLSFSUB1()
H A Dss1.C19 static char b[] = "abcdefghij", forb[13] = "abcdefghijkl"; in PROTOCCALLSFSUB1() local
20 SS1(b); FORSTR1(forb); in PROTOCCALLSFSUB1()
21 printf("SS1(b) returns b = %s; FORSTR1(forb) = returns forb = %s;\n", b, forb); in PROTOCCALLSFSUB1()
/dports/security/nmap/nmap-7.91/scripts/
H A Dhttp-useragent-tester.nse153 local allowed, forb, status_changed = {}, {}, {}
161 forb[l] = {}
164 forb[l]['Different Host'] = tostring(libloc)
169 forb[l]['Same Host'] = tostring(libloc)
183 if next(forb) ~= nil then
184 output['Forbidden/Redirected User Agents'] = forb
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DFindRings.cpp114 if (!forb[oIdx] && atomDegrees[oIdx] == 2) { in markUselessD2s()
115 forb[oIdx] = 1; in markUselessD2s()
127 boost::dynamic_bitset<> forb(tMol.getNumAtoms()); in pickD2Nodes() local
131 if (atomDegrees[axci] == 2 && !forb[axci]) { in pickD2Nodes()
134 forb[axci] = 1; in pickD2Nodes()
510 INT_VECT forb; in findRingsD3Node() local
511 forb.push_back(f); in findRingsD3Node()
551 INT_VECT forb; in findRingsD3Node() local
552 forb.push_back(f2); in findRingsD3Node()
566 forb.clear(); in findRingsD3Node()
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/dports/math/gap/gap-4.11.0/pkg/rds-1.7/lib/
H A Dsigs.gi964 local forb, normals, list;
969 forb:=forbidden;
1002 forb:=forbidden;
1004 if not IsSubset(forb,normal)
1018 fforbidden:=Image(phi,forb);
1207 local forb;
1212 if not IsSubset(Gdata.Glist,forb)
1234 forb:=forbidden;
1238 forb:=Group(forbidden);
1245 forb:=forbidden;
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/
H A Dwaimfile.F1152 integer np,iorb,forb,nsf
1206 forb=10
1210 forb=20
1214 forb=35
1218 forb=56
1227 do l=iorb,forb
1264 forb=6
1305 forb=10
1362 forb=15
1370 do l = iorb,forb
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/
H A Dwaimfile.F1152 integer np,iorb,forb,nsf
1206 forb=10
1210 forb=20
1214 forb=35
1218 forb=56
1227 do l=iorb,forb
1264 forb=6
1305 forb=10
1362 forb=15
1370 do l = iorb,forb
[all …]
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/feff/
H A Doutputs.py118 forb = {"s": 0, "p": 1, "d": 2, "f": 3}
126 density = [ldos[pot_index][j][forb[k] + 1] for j in range(dlength)]
138 forb = {"s": 0, "p": 1, "d": 2, "f": 3}
143 for v in forb.values():
/dports/www/ikiwiki/ikiwiki-3.20200202.3/doc/users/
H A Dwentasah.mdwn7 - <http://frsh-forb.sourceforge.net/>
/dports/science/siesta/siesta-4.1.5/Src/
H A Datom.F3501 allocate(forb(1:nrc))
3505 forb(ir) = g(ir)
3643 forb(ir) = forb(ir)/rofi(ir)**l
3646 forb(1) = forb(2)
3747 deallocate(forb)
4287 forb(ir) = g(ir)
4339 deallocate(forb)
6027 deallocate(forb)
6193 allocate(forb(1:nrc))
6198 forb(ir) = g(ir)
[all …]
/dports/math/eclib/eclib-20210318/libsrc/
H A Dsieve_search.cc1141 long *forb; in search() local
1145 for(forb = &forbidden[0] ; *forb && (b % (*forb)); forb++) in search()
1147 if(*forb == 0) in search()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals_init.F146 INTEGER :: forb, fri, iil, il, ipgf, iset, ishell, jpgf, jset, jshell, l, l1, l2, lmax_orb, & local
226 forb = orb_index(ipgf, ishell, iset)
237 scon_mix(iil + 1, fri, forb, il + 1) = prefac*shg_fac(iil)/zet**iil
H A Ds_contract_shg.F1099 INTEGER :: forb, fri, ids, ids_start, iil, il, & local
1127 forb = orbb_index(jpgfb, jshellb)
1134 … + sconb_mix(iil + 1, fri, forb, il + 1)*work_ppc(jpgfb, kpgfb, il - iil + 1, ids, ishella)
1191 INTEGER :: forb, fri, ids, ids_start, iil, il, & local
1221 forb = orba_index(ipgfa, ishella)
1226 … + scona_mix(iil + 1, fri, forb, il + 1)*work_ppc(ipgfa, kpgfa, il - iil + 1, ids, jshellb)
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals_init.F146 INTEGER :: forb, fri, iil, il, ipgf, iset, ishell, jpgf, jset, jshell, l, l1, l2, lmax_orb, & local
226 forb = orb_index(ipgf, ishell, iset)
237 scon_mix(iil + 1, fri, forb, il + 1) = prefac*shg_fac(iil)/zet**iil
H A Ds_contract_shg.F1099 INTEGER :: forb, fri, ids, ids_start, iil, il, & local
1127 forb = orbb_index(jpgfb, jshellb)
1134 … + sconb_mix(iil + 1, fri, forb, il + 1)*work_ppc(jpgfb, kpgfb, il - iil + 1, ids, ishella)
1191 INTEGER :: forb, fri, ids, ids_start, iil, il, & local
1221 forb = orba_index(ipgfa, ishella)
1226 … + scona_mix(iil + 1, fri, forb, il + 1)*work_ppc(ipgfa, kpgfa, il - iil + 1, ids, jshellb)
/dports/x11/mate-panel/mate-panel-1.26.1/mate-panel/
H A Dpanel.c901 GSList *forb; in move_applet() local
902 forb = g_object_get_data (G_OBJECT (info->widget), in move_applet()
904 if ( ! g_slist_find (forb, panel)) in move_applet()
1121 GSList *forb; in panel_check_drop_forbidden() local
1123 forb = g_object_get_data (G_OBJECT (source_widget), in panel_check_drop_forbidden()
1126 if (g_slist_find (forb, panel)) in panel_check_drop_forbidden()
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/
H A Dcrystal2qmc.cpp498 string forb=outputname+"_"+lst+".orb"; in main() local
499 cout << " " << forb + ": "; in main()
500 ofstream orbout(forb.c_str()); in main()
504 slwriter.orbname=forb; in main()
563 string forb=outputname+"_"+lst+".orb"; in main() local
564 cout << " " << forb << ": "; in main()
565 ofstream orbout(forb.c_str()); in main()
569 slwriter.orbname=forb; in main()
/dports/devel/libfirm/libfirm-1.21.0/ir/be/
H A Dbecopyheur2.c337 bitset_t *forb = bitset_alloca(n_regs); in determine_color_costs() local
345 admissible_colors(env, ci, forb); in determine_color_costs()
346 bitset_flip_all(forb); in determine_color_costs()
377 bitset_foreach(forb, elm) { in determine_color_costs()
/dports/math/pari/pari-2.13.3/src/modules/
H A Dratpoints.c1466 long *forb; in find_points_work() local
1511 for (forb = &forbidden[0] ; *forb && (b % (*forb)); forb++) in find_points_work()
1513 if (*forb == 0 && rpjacobi(b, pel(c,degree)) == 1) in find_points_work()
/dports/editors/lazarus/lazarus/ide/
H A Dlazarus_dci_file.dci89 [forb | for statement]
/dports/editors/lazarus-qt5/lazarus/ide/
H A Dlazarus_dci_file.dci89 [forb | for statement]
/dports/editors/lazarus-devel/lazarus-6df7e8756882f7d7f28f662011ee72f21746c580/ide/
H A Dlazarus_dci_file.dci89 [forb | for statement]

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