/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
H A D | ReadPARM7.h | 363 char sdum[512]; local 368 fgets(sdum, 512, file); 371 fscanf(file, "%s\n", sdum); // "%FLAG" 372 if (strcmp("%FLAG", sdum)) { 379 if (strcmp("TITLE", sdum) && strcmp("CTITLE", sdum)) { 386 if (strcmp(sdum, "%FORMAT(20a4)") && strcmp(sdum, "%FORMAT(a80)")) { 411 fscanf(file,"%s\n", sdum); 412 if (strcmp("POINTERS", sdum)) { 424 fscanf(file,"%s\n", sdum); 425 if (strcasecmp("%FORMAT(10I8)", sdum)) { [all …]
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/dports/math/sisl/SISL-SISL-4.6.0-44-g9114631/src/ |
H A D | s6twonorm.c | 94 double svec[3],sdum[3]; /* Local dummy arrays */ local 115 sdum[0] = (double)0.0; 116 sdum[1] = (double)0.0; 117 sdum[2] = (double)0.0; 121 sdum[0] = (double)1.0; 125 sdum[1] = (double)1.0; 129 sdum[2] = (double)1.0; 134 s6crss(svec,sdum,enorm1);
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H A D | s1376.c | 102 double *sdum; /* Pointer to knot array */ local 126 sdum = newarray(*jkn+*jkk,DOUBLE); 127 if (sdum == SISL_NULL) goto err101; 129 *gt = sdum; 139 sdum[kl] = tval; 153 sdum[kl] = tval; 159 sdum[kl] = tval;
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H A D | s1381.c | 106 double *sdum; /* Pointer to knot array */ local 128 sdum = newarray(*jkn+jkk,DOUBLE); 129 if (sdum == SISL_NULL) goto err101; 131 *gt = sdum; 141 sdum[kl] = tval; 155 sdum[kl] = tval; 161 sdum[kl] = tval;
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H A D | s1607.c | 177 double *sdum = SISL_NULL; /* Is used to store cross product of tangent local 290 if((sdum = newarray (3, DOUBLE)) == SISL_NULL) goto err101; 294 s6crss (&kpoint1[idim], &kpoint2[idim], sdum); 308 sum3 += sdum[ki] * sdum[ki]; 324 sdum[ki] /= sum3; 326 sdum[ki] = 0.0; 333 dum += (kpoint1[ki] - kpoint2[ki]) * sdum[ki]; 393 s6crss(sdum, &kpoint1[idim], norder1); 394 s6crss(sdum, &kpoint2[idim], norder2); 498 if (sdum != SISL_NULL) freearray(sdum);
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H A D | s1385.c | 130 double *sdum=SISL_NULL; /* Dummy normal vector */ local 137 sdum = new0array(idim,DOUBLE); 138 if (sdum == SISL_NULL) goto err101; 174 s1360(qc,toffset,aepsge,sdum,tmax,idim,rc,&kstat); 198 if (sdum != SISL_NULL) freearray(sdum);
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H A D | s6findfac.c | 118 double sdum[3]; /* Help vector. */ local 158 sdum[ki] = (double)isign*etang[ki] - *coef1*evecu[ki] - *coef2*evecv[ki]; 159 *coef3 = s6length(sdum,idim,&kstat)/s6length(evecw,idim,&kstat); 161 if (s6scpr(sdum,evecw,idim) < DZERO) (*coef3) *= -(double)1.0;
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H A D | s1905.c | 123 double *sdum = SISL_NULL; /* Help array. */ local 142 if ((sdum = newarray (idim, DOUBLE)) == SISL_NULL) 295 memcopy (sdum, (*gcond2) + kj * idim, idim, DOUBLE); 297 memcopy ((*gcond2) + ki * idim, sdum, idim, DOUBLE); 337 if (sdum != SISL_NULL) 338 freearray (sdum);
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H A D | s1908.c | 138 double *sdum = SISL_NULL; /* Help array. */ local 142 if ((sdum = newarray (idim, DOUBLE)) == SISL_NULL) 337 memcopy (sdum, (*gcond2) + kj * idim, idim, DOUBLE); 340 memcopy ((*gcond2) + ki * idim, sdum, idim, DOUBLE); 377 if(sdum != SISL_NULL) freearray(sdum);
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H A D | s1611.c | 137 double spnt[3], sdum[3]; local 243 sdum[kp] = spoint[kk + kp]; 248 svect2[kp] = sdum[kp] - spoint[kp]; 279 sdum[kp] = spoint[kk + kp]; 281 s6mulvec (sinv, sdum, smul);
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H A D | s1422.c | 159 double sdum[48]; /* Array used in stead of allocation */ local 173 sp = &sdum[0];
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H A D | sh1461.c | 191 double sdum[6]; /* Value and 1. derivative of position local 243 s1221(vboundc[2*ki+1],1,tpar,&kleft,sdum,&kstat); 246 memcopy(stwist+ki*kdim,sdum+kdim,kdim,double); 332 s1221(qc,1,tpar,&kleft,sdum,&kstat); 341 memcopy(spos+4*kdim,sdum,kdim,DOUBLE); 345 scrt2[3*kdim+kh] = -sdum[kdim+kh]/(double)2.0;
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H A D | s1367.c | 167 double sdum[27]; /* Array used instead of allocation. */ local 179 sder = &sdum[0];
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H A D | sh1782.c | 283 double *sdum; /* Normal of surface(dummy) */ local 333 uintpt[klow], &sder, &sdum, aepsge, &kstat);
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/dports/science/gabedit/GabeditSrc251_300720/src/Spectrum/ |
H A D | RamanSpectrum.c | 450 gchar* sdum[5*2]; in read_gamess_file() local 493 for(i=0;i<nfMax*2;i++) sprintf(sdum[i]," "); in read_gamess_file() 494 nfi = sscanf(tmp,"%s %s %s %s %s %s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4], in read_gamess_file() 495 sdum[5],sdum[6],sdum[7],sdum[8],sdum[9] in read_gamess_file() 499 for(i=0;i<nfMax*2;i++) g_free(sdum[i]); in read_gamess_file() 508 if(strstr(sdum[i+1],"I")) in read_gamess_file() 510 freq[nf] = -atof(sdum[i]); in read_gamess_file() 515 freq[nf] = atof(sdum[i]); in read_gamess_file() 526 nir = sscanf(tmp,"%s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4]); in read_gamess_file() 531 for(i=0;i<nfMax*2;i++) g_free(sdum[i]); in read_gamess_file() [all …]
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H A D | IRSpectrum.c | 628 gchar* sdum[5*2]; in read_gamess_file() local 671 for(i=0;i<nfMax*2;i++) sprintf(sdum[i]," "); in read_gamess_file() 672 nfi = sscanf(tmp,"%s %s %s %s %s %s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4], in read_gamess_file() 673 sdum[5],sdum[6],sdum[7],sdum[8],sdum[9] in read_gamess_file() 677 for(i=0;i<nfMax*2;i++) g_free(sdum[i]); in read_gamess_file() 686 if(strstr(sdum[i+1],"I")) in read_gamess_file() 688 freq[nf] = -atof(sdum[i]); in read_gamess_file() 693 freq[nf] = atof(sdum[i]); in read_gamess_file() 704 nir = sscanf(tmp,"%s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4]); in read_gamess_file() 709 for(i=0;i<nfMax*2;i++) g_free(sdum[i]); in read_gamess_file() [all …]
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/dports/mail/metamail/mm2.7/src/metamail/ |
H A D | mailto.c | 507 if (sdum) { 570 for (sdum = CharacterSet; *sdum; ++sdum) { 571 if (isupper(*sdum)) *sdum = tolower(*sdum); 586 free(sdum); 592 free(sdum); 1358 if (*sdum == '\n') --sdum; 1763 while (sdum >= CTLineBuf && isspace((unsigned char) *sdum)) { in CreateNewPart() 1765 --sdum; in CreateNewPart() 1768 while (*sdum && isspace((unsigned char) *sdum)) ++sdum; in CreateNewPart() 2239 for (sdum = LineBuf; *sdum; ++sdum) { [all …]
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/dports/converters/mmencode/mm2.7/src/metamail/ |
H A D | mailto.c | 506 if (sdum) { 569 for (sdum = CharacterSet; *sdum; ++sdum) { 570 if (isupper(*sdum)) *sdum = tolower(*sdum); 584 free(sdum); 590 free(sdum); 1354 if (*sdum == '\n') --sdum; 1757 while (sdum >= CTLineBuf && isspace((unsigned char) *sdum)) { in CreateNewPart() 1759 --sdum; in CreateNewPart() 1762 while (*sdum && isspace((unsigned char) *sdum)) ++sdum; in CreateNewPart() 2229 for (sdum = LineBuf; *sdum; ++sdum) { [all …]
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/dports/science/gabedit/GabeditSrc251_300720/utils/Others/ |
H A D | old.c | 109 char sdum[100]; in main() local 155 i = sscanf(t,"%d %s", &Z, sdum); in main() 156 if(i==2 && strlen(sdum)<4 && strlen(sdum)>0 && Z>0) in main() 194 i = sscanf(t,"%s", sdum); in main() 195 if(i!=1 || strlen(sdum)>3 || strlen(sdum)<1 ) in main()
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H A D | createIsotopFunctions.c | 125 char sdum[100]; in main() local 172 i = sscanf(t,"%d %s", &Z, sdum); in main() 173 if(i==2 && strlen(sdum)<4 && strlen(sdum)>0 && Z>0) in main() 210 i = sscanf(t,"%s", sdum); in main() 211 if(i!=1 || strlen(sdum)>3 || strlen(sdum)<1 ) in main()
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/dports/science/xtb/xtb-6.4.1/TESTSUITE/ |
H A D | repulsion.f90 | 50 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 81 call repulsionEnGrad(mol, rep, trans, 40.0_wp, er, gdum, sdum) 85 call repulsionEnGrad(mol, rep, trans, 40.0_wp, el, gdum, sdum) 101 call repulsionEnGrad(mol, rep, trans, 40.0_wp, er, gdum, sdum) 106 call repulsionEnGrad(mol, rep, trans, 40.0_wp, el, gdum, sdum) 184 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 230 call repulsionEnGrad(mol, rep, trans, 40.0_wp, er, gdum, sdum) 234 call repulsionEnGrad(mol, rep, trans, 40.0_wp, el, gdum, sdum) 252 call repulsionEnGrad(mol, rep, trans, 40.0_wp, er, gdum, sdum) 258 call repulsionEnGrad(mol, rep, trans, 40.0_wp, el, gdum, sdum)
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H A D | dftd3.f90 | 79 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 133 & cn, dcndr, dcndL, er, gdum, sdum) 143 & cn, dcndr, dcndL, el, gdum, sdum) 267 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 323 & cn, dcndr, dcndL, er, gdum, sdum) 332 & cn, dcndr, dcndL, el, gdum, sdum) 460 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 510 & cn, dcndr, dcndL, er, gdum, sdum) 517 & cn, dcndr, dcndL, el, gdum, sdum) 638 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local [all …]
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H A D | dftd4.f90 | 86 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 158 & cn, dcndr, dcndL, q, dqdr, dqdL, er, gdum, sdum) 172 & cn, dcndr, dcndL, q, dqdr, dqdL, el, gdum, sdum) 303 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 373 & cn, dcndr, dcndL, q, dqdr, dqdL, er, gdum, sdum) 520 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 571 & g_a, g_c, wf, cn, dcndr, dcndL, er, gdum, sdum) 578 & g_a, g_c, wf, cn, dcndr, dcndL, el, gdum, sdum) 705 real(wp) :: energy, sigma(3, 3), sdum(3, 3) local 756 & 15.0_wp, cn, dcndr, dcndL, er, gdum, sdum) [all …]
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/dports/science/gabedit/GabeditSrc251_300720/src/Display/ |
H A D | Vibration.c | 2741 gchar sdum[BSIZE]; in read_gabedit_molden_geom() local 4046 gchar sdum[8][50]; in read_dalton_modes_MOLHES() local 4142 &numModes[0], sdum[0], in read_dalton_modes_MOLHES() 4159 sdum[0], sdum[1], sdum[2], sdum[3], sdum[4], sdum[5], sdum[6], sdum[7]); in read_dalton_modes_MOLHES() 4348 gchar* sdum[5*2]; in read_gamess_modes() local 4393 nfi = sscanf(tmp,"%s %s %s %s %s %s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4], in read_gamess_modes() 4394 sdum[5],sdum[6],sdum[7],sdum[8],sdum[9] in read_gamess_modes() 4425 nmass = sscanf(tmp,"%s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4]); in read_gamess_modes() 4437 nir = sscanf(tmp,"%s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4]); in read_gamess_modes() 4449 nir = sscanf(tmp,"%s %s %s %s %s", sdum[0],sdum[1],sdum[2],sdum[3],sdum[4]); in read_gamess_modes() [all …]
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H A D | OrbitalsOrca.c | 311 gchar sdum[50]; in DefineOrcaBasisType() local 384 sscanf(t,"%s %s",sdum,sym); in DefineOrcaBasisType()
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