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Searched refs:sdum (Results 1 – 25 of 49) sorted by relevance

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/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A DReadPARM7.h363 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 …]
/dports/math/sisl/SISL-SISL-4.6.0-44-g9114631/src/
H A Ds6twonorm.c94 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);
H A Ds1376.c102 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;
H A Ds1381.c106 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;
H A Ds1607.c177 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);
H A Ds1385.c130 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);
H A Ds6findfac.c118 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;
H A Ds1905.c123 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);
H A Ds1908.c138 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);
H A Ds1611.c137 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);
H A Ds1422.c159 double sdum[48]; /* Array used in stead of allocation */ local
173 sp = &sdum[0];
H A Dsh1461.c191 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;
H A Ds1367.c167 double sdum[27]; /* Array used instead of allocation. */ local
179 sder = &sdum[0];
H A Dsh1782.c283 double *sdum; /* Normal of surface(dummy) */ local
333 uintpt[klow], &sder, &sdum, aepsge, &kstat);
/dports/science/gabedit/GabeditSrc251_300720/src/Spectrum/
H A DRamanSpectrum.c450 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 …]
H A DIRSpectrum.c628 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 …]
/dports/mail/metamail/mm2.7/src/metamail/
H A Dmailto.c507 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 …]
/dports/converters/mmencode/mm2.7/src/metamail/
H A Dmailto.c506 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 …]
/dports/science/gabedit/GabeditSrc251_300720/utils/Others/
H A Dold.c109 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()
H A DcreateIsotopFunctions.c125 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()
/dports/science/xtb/xtb-6.4.1/TESTSUITE/
H A Drepulsion.f9050 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)
H A Ddftd3.f9079 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 …]
H A Ddftd4.f9086 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 …]
/dports/science/gabedit/GabeditSrc251_300720/src/Display/
H A DVibration.c2741 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 …]
H A DOrbitalsOrca.c311 gchar sdum[50]; in DefineOrcaBasisType() local
384 sscanf(t,"%s %s",sdum,sym); in DefineOrcaBasisType()

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