/dports/science/gabedit/GabeditSrc251_300720/src/Display/ |
H A D | Basis.c | 58 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 …]
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H A D | OrbitalsOrca.c | 215 { 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()
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H A D | GlobalOrb.h | 80 FILE* forb; variable
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/dports/lang/cfortran/cfortran-4.3/eg/ss1/ |
H A D | ss1.c | 19 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()
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H A D | ss1.C | 19 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()
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/dports/security/nmap/nmap-7.91/scripts/ |
H A D | http-useragent-tester.nse | 153 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
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ |
H A D | FindRings.cpp | 114 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() [all …]
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/dports/math/gap/gap-4.11.0/pkg/rds-1.7/lib/ |
H A D | sigs.gi | 964 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; [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
H A D | waimfile.F | 1152 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
H A D | waimfile.F | 1152 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 …]
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/feff/ |
H A D | outputs.py | 118 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():
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/dports/www/ikiwiki/ikiwiki-3.20200202.3/doc/users/ |
H A D | wentasah.mdwn | 7 - <http://frsh-forb.sourceforge.net/>
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | atom.F | 3501 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 …]
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/dports/math/eclib/eclib-20210318/libsrc/ |
H A D | sieve_search.cc | 1141 long *forb; in search() local 1145 for(forb = &forbidden[0] ; *forb && (b % (*forb)); forb++) in search() 1147 if(*forb == 0) in search()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | generic_shg_integrals_init.F | 146 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
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H A D | s_contract_shg.F | 1099 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | generic_shg_integrals_init.F | 146 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
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H A D | s_contract_shg.F | 1099 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)
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/dports/x11/mate-panel/mate-panel-1.26.1/mate-panel/ |
H A D | panel.c | 901 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()
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/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/ |
H A D | crystal2qmc.cpp | 498 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()
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/dports/devel/libfirm/libfirm-1.21.0/ir/be/ |
H A D | becopyheur2.c | 337 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()
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/dports/math/pari/pari-2.13.3/src/modules/ |
H A D | ratpoints.c | 1466 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()
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/dports/editors/lazarus/lazarus/ide/ |
H A D | lazarus_dci_file.dci | 89 [forb | for statement]
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/dports/editors/lazarus-qt5/lazarus/ide/ |
H A D | lazarus_dci_file.dci | 89 [forb | for statement]
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/dports/editors/lazarus-devel/lazarus-6df7e8756882f7d7f28f662011ee72f21746c580/ide/ |
H A D | lazarus_dci_file.dci | 89 [forb | for statement]
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