4 * author: frank zirkelbach (frank.zirkelbach@physik.uni-augsburg.de)
6 * this program tries helping to understand the amorphous depuration
7 * and recrystallization of SiCx while ion implantation at temperatures
8 * below 400 degree celsius.
9 * hopefully the program will simulate the stabilization of the
10 * selforganizing lamella structure in the observed behaviour.
13 * - J. K. N. Lindner. Habilationsschrift, Universitaet Augsburg.
14 * - Maik Haeberlen. Diplomarbeit, Universitaet Augsburg.
16 * Copyright (C) 2004 Frank Zirkelbach
18 * This program is free software; you can redistribute it and/or modify
19 * it under the terms of the GNU General Public License as published by
20 * the Free Software Foundation; either version 2 of the License, or
21 * (at your option) any later version.
23 * This program is distributed in the hope that it will be useful,
24 * but WITHOUT ANY WARRANTY; without even the implied warranty of
25 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
26 * GNU General Public License for more details.
28 * You should have received a copy of the GNU General Public License
29 * along with this program; if not, write to the Free Software
30 * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
38 #include <sys/types.h>
48 #define MAKE_AMORPH(N) *(N)|=AMORPH
49 #define MAKE_CRYST(N) *(N)&=~AMORPH
55 puts("-n \t\t no user interaction");
56 puts("-Z \t\t cryst -> amorph c diffusion in z direction");
57 puts("-i \t\t no cryst to cryst diffusion");
58 printf("-x <value> \t # x cells (default %d)\n",X);
59 printf("-y <value> \t # y cells (default %d)\n",Y);
60 printf("-z <value> \t # z cells (default %d)\n",Z);
61 printf("-s <value> \t steps (default %d)\n",STEPS);
62 printf("-d <value> \t refresh display (default %d)\n",REFRESH);
63 printf("-r <value> \t amorphous influence range (default %d)\n",RANGE);
64 printf("-f <value> \t pressure = <value> * 1/distance^2 (default %f)\n",A_AP);
65 printf("-p <value> \t pressure offset (default %f)\n",B_AP);
66 printf("-F <value> \t proportionality constant between c conc and ability to get amorphous (default %f)\n",A_CP);
67 printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC);
68 printf("-c <value> \t diffusion rate in cryst cells (default %f)\n",DR_CC);
69 printf("-e <value> \t do diffusion every <value> steps (default %d)\n",DIFF_RATE);
70 puts("-g <file> <step> continue simulation from file and step (step > 0)!");
71 printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
72 puts("-C <file> \t convert file to gnuplot format");
73 puts("-L <file> \t load from file");
74 puts("-S <file> \t save to file");
75 puts("-R <file> \t read from random file");
76 puts("-P <file> \t specify implantation profile file");
77 puts("-N <file> \t specify nuclear energy loss profile file");
78 printf("-H <value> \t collisions per ion in simulation window (default %d)\n",CPI);
79 puts("-m <value> \t specify c->a carbon saturation");
84 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
92 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
93 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
94 p=my_info->b_ap*nel_z;
95 for(i=-(my_info->range);i<=my_info->range;i++)
97 for(j=-(my_info->range);j<=my_info->range;j++)
101 off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
102 if(*(d3_l->status+off)&AMORPH) p+=my_info->a_ap*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
106 p+=*conc*my_info->a_cp*URAND_MAX;
109 if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
112 /* assume 1-p probability */
113 /* also look for neighbours ! */
114 q=(URAND_MAX-p)>0?URAND_MAX-p:0;
116 j+=(*(d3_l->status+((x+d3_l->max_x+1)%d3_l->max_x)+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
117 j+=(*(d3_l->status+((x+d3_l->max_x-1)%d3_l->max_x)+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
118 j+=(*(d3_l->status+x+((y+1+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
119 j+=(*(d3_l->status+x+((y-1+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
120 j+=(*(d3_l->status+x+y*d3_l->max_x+((z+1+d3_l->max_z)%d3_l->max_z)*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
121 j+=(*(d3_l->status+x+y*d3_l->max_x+((z-1+d3_l->max_z)%d3_l->max_z)*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
123 if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
129 int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u32 *rj_g)
136 /* put one c ion somewhere in the lattice */
137 if(my_info->cc<c_ratio*step)
139 x=get_rand(d3_l->max_x);
140 y=get_rand(d3_l->max_y);
141 z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
142 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
146 if(step%my_info->diff_rate==0)
149 for(i=0;i<d3_l->max_x;i++)
151 for(j=0;j<d3_l->max_y;j++)
153 for(k=0;k<d3_l->max_z;k++)
155 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
156 /* case amorph: amorph <- cryst diffusion */
157 if(*(d3_l->status+offset)&AMORPH && *(d3_l->extra+offset)<my_info->c_sat)
163 off=((i+d3_l->max_x+c)%d3_l->max_x)+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
165 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
168 *(d3_l->extra+offset)+=carry;
169 *(d3_l->extra+off)-=carry;
177 off=i+((j+c+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
179 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
182 *(d3_l->extra+offset)+=carry;
183 *(d3_l->extra+off)-=carry;
191 off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
193 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
196 *(d3_l->extra+off)-=carry;
197 *(d3_l->extra+offset)+=carry;
202 off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
204 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
207 *(d3_l->extra+off)-=carry;
208 *(d3_l->extra+offset)+=carry;
213 /* case not amorph: cryst <-> cryst diffusion */
214 if(my_info->c_diff) {
215 /* if there is c diff, no diff in z-direction */
221 off=i+((j+c+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
223 if(!(*(d3_l->status+off)&AMORPH))
225 carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
228 *(d3_l->extra+offset)+=carry;
229 *(d3_l->extra+off)-=carry;
238 off=((i+c+d3_l->max_x)%d3_l->max_x)+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
240 if(!(*(d3_l->status+off)&AMORPH))
242 carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
245 *(d3_l->extra+offset)+=carry;
246 *(d3_l->extra+off)-=carry;
259 } /* if step modulo diff_rate == 0 */
264 int calc_pressure(d3_lattice *d3_l,int range)
270 for(x=0;x<d3_l->max_x;x++)
272 for(y=0;y<d3_l->max_y;y++)
274 for(z=0;z<d3_l->max_z;z++)
277 for(i=-range;i<=range;i++)
279 for(j=-range;j<=range;j++)
283 off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
284 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
288 if(count>max) max=count;
293 for(x=0;x<d3_l->max_x;x++)
295 for(y=0;y<d3_l->max_y;y++)
297 for(z=0;z<d3_l->max_z;z++)
300 for(i=-range;i<=range;i++)
302 for(j=-range;j<=range;j++)
306 off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
307 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
311 *(unsigned char *)(d3_l->v_ptr+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(unsigned char)(count*255/max);
319 int calc_max_extra(d3_lattice *d3_l)
324 for(x=0;x<d3_l->max_x;x++)
326 for(y=0;y<d3_l->max_y;y++)
328 for(z=0;z<d3_l->max_z;z++)
330 off=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
331 if(*(d3_l->extra+off)>max) max=*(d3_l->extra+off);
339 int write_ac_distr(d3_lattice *d3_l,int ac_distr)
345 if(ac_distr==1) strcpy(file,"a.plot");
346 if(ac_distr==2) strcpy(file,"c.plot");
347 if(ac_distr==3) strcpy(file,"b.plot");
349 if((fd=open(file,O_WRONLY|O_CREAT))<0)
351 puts("cannot open plot file");
355 for(z=0;z<d3_l->max_z;z++)
358 for(x=0;x<d3_l->max_x;x++)
360 for(y=0;y<d3_l->max_y;y++)
362 offset=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
364 if(*(d3_l->status+offset)&AMORPH) count+=*(d3_l->extra+offset);
366 if(!(*(d3_l->status+offset)&AMORPH)) count+=*(d3_l->extra+offset);
367 if(ac_distr==3) count+=*(d3_l->extra+offset);
370 dprintf(fd,"%d %d\n",z,count);
377 int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
379 int fd,i,j,size=0,foo=0,k,sum;
380 int width=0,height=0;
381 char bmpfile[MAX_CHARS];
386 sprintf(bmpfile,"x-z_%d.bmp",y);
388 size=(foo+(4-foo%4))*d3_l->max_z;
394 sprintf(bmpfile,"y-z_%d.bmp",x);
396 size=(foo+(4-foo%4))*d3_l->max_z;
402 sprintf(bmpfile,"x-y_%d.bmp",z);
404 size=(foo+(4-foo%4))*d3_l->max_y;
410 sprintf(bmpfile,"x-z_cdistr_%d.bmp",y);
412 size=(foo+(4-foo%4))*d3_l->max_z;
418 sprintf(bmpfile,"y-z_cdistr_%d.bmp",x);
420 size=(foo+(4-foo%4))*d3_l->max_z;
426 sprintf(bmpfile,"x-y_cdistr_%d.bmp",z);
428 size=(foo+(4-foo%4))*d3_l->max_y;
433 if((fd=open(bmpfile,O_WRONLY|O_CREAT))<0)
435 puts("cannot open bmp file");
440 buf[0]='B'; /* std header start */
442 buf[2]=(size+0x36)&0xff; /* file size */
443 buf[3]=(size+0x36)>>8;
445 buf[10]=0x36; /* offset to data */
447 buf[14]=0x28; /* length of bmp info header */
449 buf[18]=width&0xff; /* width and height */
455 buf[26]=1; /* # planes -> 1 */
457 buf[28]=24; /* bits per pixel -> 2^24 (true color) */
459 memset(buf+30,0,4); /* compression -> none */
460 buf[34]=size&0xff; /* data size */
463 buf[38]=0x12; /* res: pixel/meter */
469 memset(buf+46,0,8); /* no colors, no important colors */
471 if(write(fd,buf,54)<54)
473 puts("failed writing bmp header");
478 for(j=0;j<d3_l->max_z;j++)
480 for(i=0;i<d3_l->max_x;i++)
484 if(*(d3_l->status+i+(((y+k+d3_l->max_y)%d3_l->max_y)*d3_l->max_x)+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum+=0xff;
486 memset(buf,(unsigned char)sum,3);
487 if(write(fd,buf,3)<3)
489 puts("failed writing rgb values to bmp file");
495 memset(buf,0,4-foo%4);
496 if(write(fd,buf,4-foo%4)<4-foo%4)
498 puts("failed writing 4 byte ending");
506 for(j=0;j<d3_l->max_z;j++)
508 for(i=0;i<d3_l->max_y;i++)
512 if(*(d3_l->status+((x+k+d3_l->max_x)%d3_l->max_x)+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum+=0xff;
514 memset(buf,(unsigned char)sum,3);
515 if(write(fd,buf,3)<3)
517 puts("failed writing rgb values to bmp file");
523 memset(buf,0,4-foo%4);
524 if(write(fd,buf,4-foo%4)<4-foo%4)
526 puts("failed writing 4 byte ending");
534 for(j=0;j<d3_l->max_y;j++)
536 for(i=0;i<d3_l->max_x;i++)
538 if(*(d3_l->status+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&RED) memset(buf,0xff,3);
539 else memset(buf,0,3);
540 if(write(fd,buf,3)<3)
542 puts("failed writing rgb values to bmp file");
548 memset(buf,0,4-foo%4);
549 if(write(fd,buf,4-foo%4)<4-foo%4)
551 puts("failed writing 4 byte ending");
559 for(j=0;j<d3_l->max_z;j++)
561 for(i=0;i<d3_l->max_x;i++)
563 sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
565 memset(buf,(unsigned char)sum,3);
566 if(write(fd,buf,3)<3)
568 puts("failed writing rgb values to bmp file");
574 memset(buf,0,4-foo%4);
575 if(write(fd,buf,4-foo%4)<4-foo%4)
577 puts("failed writing 4 byte ending");
585 for(j=0;j<d3_l->max_z;j++)
587 for(i=0;i<d3_l->max_x;i++)
589 sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
591 memset(buf,(unsigned char)sum,3);
592 if(write(fd,buf,3)<3)
594 puts("failed writing rgb values to bmp file");
600 memset(buf,0,4-foo%4);
601 if(write(fd,buf,4-foo%4)<4-foo%4)
603 puts("failed writing 4 byte ending");
611 for(j=0;j<d3_l->max_z;j++)
613 for(i=0;i<d3_l->max_x;i++)
615 sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
617 memset(buf,(unsigned char)sum,3);
618 if(write(fd,buf,3)<3)
620 puts("failed writing rgb values to bmp file");
626 memset(buf,0,4-foo%4);
627 if(write(fd,buf,4-foo%4)<4-foo%4)
629 puts("failed writing 4 byte ending");
640 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
644 if((sf_fd=open(sf,O_WRONLY|O_CREAT))<0)
646 puts("cannot open save file");
649 if(write(sf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
651 puts("failed saving d3 lattice struct");
654 if(write(sf_fd,my_inf,sizeof(info))<sizeof(info))
656 puts("failed saving info struct");
659 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
660 if(write(sf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
662 puts("failed saving status of d3 lattice sites");
665 if(write(sf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
667 puts("failed saving sites concentration");
675 int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
679 if((lf_fd=open(lf,O_RDONLY))<0)
681 puts("cannot open load file");
684 if(read(lf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
686 puts("failed reading d3 lattice struct");
689 if(read(lf_fd,my_inf,sizeof(info))<sizeof(info))
691 puts("failed reading info struct");
694 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
695 if((d3_l->status=(unsigned char*)malloc(c*sizeof(unsigned char)))==NULL)
697 puts("cannot allocate status buffer");
700 if((d3_l->extra=(int *)malloc(c*sizeof(int)))==NULL)
702 puts("cannot allocate concentration buffer");
705 if(read(lf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
707 puts("failed reading status of d3 lattice sites");
710 if(read(lf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
712 puts("failed reading sites concentration");
720 int convert_file(char *cf,d3_lattice *d3_l)
725 if((c_fd=open(cf,O_WRONLY|O_CREAT))<0)
727 puts("cannot open convert file");
730 dprintf(c_fd,"# created by nlsop (gnuplot format)\n");
731 for(x=0;x<d3_l->max_x;x++)
733 for(y=0;y<d3_l->max_y;y++)
735 for(z=0;z<d3_l->max_z;z++)
737 if(*(d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH) dprintf(c_fd,"%d %d %d\n",x,y,z);
746 int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
751 unsigned char buf[32];
755 if((p_fd=open(pfile,O_RDONLY))<0)
757 puts("cannot open profile file");
774 a=atof(p)/10; /* nm */
777 if(a<=d3_l->max_z*CELL_LENGTH) d+=b;
787 u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
796 if((fd=open(file,O_RDONLY))<0)
798 puts("cannot open file to calculate rejection graph");
801 if((flag=(unsigned char *)malloc(d3_l->max_z))==NULL)
803 puts("cannot malloc flag memory for rejection graph");
806 memset(flag,0,d3_l->max_z);
807 memset(graph,0,d3_l->max_z*sizeof(u32));
814 k=read(fd,&buf[i],1);
815 if((buf[i]=='\n')||(k==0)) break;
820 a=atof(p)/10; /* nm */
823 if(a>d3_l->max_z*CELL_LENGTH) k=0;
826 graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
827 flag[(int)(a/CELL_LENGTH)]=1;
831 /* do (linear) interpolation here! */
839 while(flag[i]==0&&i<d3_l->max_z) i++;
840 for(k=j+1;k<i;k++) graph[k]=(int)((k-j)*((int)graph[i]-(int)graph[j])/(i-j))+graph[j];
841 if(graph[i]>max) max=graph[i];
846 #ifdef DEBUG_INTERPOL_PROFILE
847 printf("debug: (interpolated profile)\n");
848 for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
854 int main(int argc,char **argv)
856 u32 x,y,z,x_c,y_c,z_c;
857 int i,j,quit,escape,switchmode,nowait,bmp,ac_distr;
860 char s_file[MAX_CHARS];
861 char s_file_tmp[MAX_CHARS];
862 char l_file[MAX_CHARS];
863 char c_file[MAX_CHARS];
864 char p_file[MAX_CHARS];
865 char n_e_file[MAX_CHARS];
867 char r_file[MAX_CHARS];
869 char xyz_txt[MAX_TXT];
870 char status_txt[MAX_TXT];
871 char conc_txt[MAX_TXT];
872 char steps_txt[MAX_TXT];
873 char cc_txt[MAX_TXT];
876 char ap_txt[MAX_TXT];
878 char cp_txt[MAX_TXT];
879 char zdiff_txt[MAX_TXT];
880 char diff_txt[MAX_TXT];
881 char dr_ac_txt[MAX_TXT];
882 char dr_cc_txt[MAX_TXT];
883 char dose_txt[MAX_TXT];
884 char mode_txt[MAX_TXT];
885 char hpi_txt[MAX_TXT];
886 char csat_txt[MAX_TXT];
887 char *arg_v[MAX_ARGV];
916 my_info.diff_rate=DIFF_RATE;
927 strcpy(p_file,IMP_PROFILE);
928 strcpy(n_e_file,NEL_PROFILE);
948 d3_l.max_x=atoi(argv[++i]);
951 d3_l.max_y=atoi(argv[++i]);
954 d3_l.max_z=atoi(argv[++i]);
964 my_info.steps=atoi(argv[++i]);
967 refresh=atoi(argv[++i]);
970 my_info.range=atoi(argv[++i]);
973 my_info.a_ap=atof(argv[++i]);
976 my_info.b_ap=atof(argv[++i]);
979 my_info.a_cp=atof(argv[++i]);
982 resave=atoi(argv[++i]);
985 strcpy(l_file,argv[++i]);
986 if(i<argc-1) if(argv[i+1][0]!='-') strcpy(c_file,argv[++i]);
990 my_info.dr_ac=atof(argv[++i]);
993 my_info.dr_cc=atof(argv[++i]);
996 my_info.diff_rate=atoi(argv[++i]);
999 strcpy(l_file,argv[++i]);
1002 strcpy(s_file,argv[++i]);
1005 strcpy(r_file,argv[++i]);
1008 strcpy(p_file,argv[++i]);
1011 strcpy(n_e_file,argv[++i]);
1014 strcpy(l_file,argv[++i]);
1015 if(i<argc-1) if(argv[i+1][0]!='-') c_step=atoi(argv[++i]);
1018 my_info.cpi=atoi(argv[++i]);
1021 my_info.c_sat=atoi(argv[++i]);
1035 if(!strcmp(s_file,""))
1037 puts("NODFB defined, run with -S option");
1042 if(!strcmp(r_file,"")) rand_init(NULL);
1043 else rand_init(r_file);
1045 if(!strcmp(l_file,""))
1047 i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
1049 d3_lattice_init(&argc,argv,&d3_l);
1051 if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL)
1053 puts("failed allocating status buffer");
1056 memset(d3_l.status,0,i*sizeof(unsigned char));
1057 if((d3_l.extra=(int *)malloc(i*sizeof(int)))==NULL)
1059 puts("failed allocating concentration buffer");
1062 memset(d3_l.extra,0,i*sizeof(int));
1065 load_from_file(l_file,&d3_l,&my_info);
1068 if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file);
1069 printf("converting file %s to %s\n",l_file,c_file);
1070 convert_file(c_file,&d3_l);
1075 else d3_lattice_init(&argc,argv,&d3_l);
1080 d3_event_init(&d3_l);
1084 strcpy(a_txt,"args:");
1085 sprintf(s_txt,"steps: %d",my_info.steps);
1086 sprintf(dose_txt,"dose: %.2fe+17 C/cm²",my_info.steps*1.0/(d3_l.max_x*d3_l.max_y*CELL_LENGTH*CELL_LENGTH*1000));
1087 sprintf(r_txt,"pressure range: %d",my_info.range);
1088 sprintf(ap_txt,"a_ap: %f b_ap: %f",my_info.a_ap,my_info.b_ap);
1089 sprintf(cp_txt,"a_cp: %f",my_info.a_cp);
1090 sprintf(dr_ac_txt,"a/c diffusion rate: %f",my_info.dr_ac);
1091 if(my_info.c_diff!=0) sprintf(dr_cc_txt,"c/c diffusion rate: %f",my_info.dr_cc);
1092 else sprintf(dr_cc_txt,"c/c diffusion rate: none");
1093 sprintf(zdiff_txt,"diffusion in z direction: %c",my_info.z_diff?'y':'n');
1094 sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate);
1095 strcpy(mode_txt,"view: a/c mode");
1096 sprintf(hpi_txt,"hits per ion: %d",my_info.cpi);
1097 sprintf(csat_txt,"carbon saturation: %d",my_info.c_sat);
1100 arg_v[3]=status_txt;
1110 arg_v[13]=zdiff_txt;
1114 arg_v[17]=dr_ac_txt;
1115 arg_v[18]=dr_cc_txt;
1125 if((!strcmp(l_file,""))||(c_step))
1127 /* calculate ratio of c_simwindow / c_total */
1128 if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
1130 puts("failed calculating ratio");
1133 /* compute graphs for random number rejection method */
1134 if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
1136 puts("failed allocating memory for carbon profile graph");
1139 if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
1141 puts("failed allocating memory for nuclear energy loss graph");
1144 ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile);
1145 ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss);
1151 printf("%d\n",get_rand_reject(d3_l.max_z,ip_max,c_profile));
1154 printf("%d\n",get_rand_reject(d3_l.max_z,ne_max,n_e_loss));
1157 printf("%d\n",get_rand(d3_l.max_z));
1162 i=(c_step?c_step:0);
1163 while((i<my_info.steps) && (quit==0) && (escape==0))
1165 for(j=0;j<my_info.cpi;j++)
1167 x_c=get_rand(d3_l.max_x);
1168 y_c=get_rand(d3_l.max_y);
1169 // z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
1170 z_c=get_rand(d3_l.max_z);
1171 nel_z=(URAND_MAX*n_e_loss[z_c])/ne_max;
1172 process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z);
1174 distrib_c(&d3_l,&my_info,i,c_ratio,ip_max,c_profile);
1178 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
1179 sprintf(status_txt,"status: %c",(*(d3_l.status+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)&AMORPH)?'a':'c');
1180 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
1181 sprintf(steps_txt,"step: %d",i);
1182 sprintf(cc_txt,"total c: %d",my_info.cc);
1183 d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
1186 if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
1188 sprintf(s_file_tmp,"%s_%d_of_%d",s_file,i,my_info.steps);
1189 save_to_file(s_file_tmp,&d3_l,&my_info);
1191 printf("saved %s\n",s_file_tmp);
1198 if(strcmp(s_file,""))
1200 printf("saved %s\n",s_file);
1201 save_to_file(s_file,&d3_l,&my_info);
1205 /* allocating buffer for pressure values */
1206 if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL)
1208 puts("cannot allocate buffer for pressure values");
1212 calc_pressure(&d3_l,my_info.range);
1213 max_extra=calc_max_extra(&d3_l);
1215 while((quit==0) && (escape==0) && (nowait==0))
1218 if(switchmode==0) mode=0;
1219 if(switchmode==1) mode=1;
1220 if(switchmode==2) mode=2;
1222 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
1223 sprintf(status_txt,"status: %c",(*(d3_l.status+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)&AMORPH)?'a':'c');
1224 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
1225 sprintf(steps_txt,"step: end");
1226 sprintf(cc_txt,"total c: %d",my_info.cc);
1227 if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
1228 if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
1229 if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
1230 d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
1233 scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp,&ac_distr);
1234 if(bmp) write_bmp(&d3_l,bmp,x,y,z,max_extra);
1235 if(ac_distr) write_ac_distr(&d3_l,ac_distr);
1238 d3_lattice_release(&d3_l);