X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fnlsop.git;a=blobdiff_plain;f=nlsop.c;h=07313e43f3e3a39f593ed769b012df62c9a18ebd;hp=d08afda944f548ef49aa2fa1d420404260392697;hb=30343b61fc28bccc04af479729a1529fa824a85a;hpb=b6061ee8aa68091a0cea6e3bf9691e27a1d52d6c

diff --git a/nlsop.c b/nlsop.c
index d08afda..07313e4 100644
--- a/nlsop.c
+++ b/nlsop.c
@@ -1,6 +1,8 @@
 /*
  * nlsop.c 
  *
+ * author: frank zirkelbach (frank.zirkelbach@physik.uni-augsburg.de)
+ *
  * this program tries helping to understand the amorphous depuration
  * and recrystallization of SiCx while ion implantation at temperatures
  * below 400 degree celsius.
@@ -10,6 +12,23 @@
  * refs: 
  *  - J. K. N. Lindner. Habilationsschrift, Universitaet Augsburg.
  *  - Maik Haeberlen. Diplomarbeit, Universitaet Augsburg.
+ *
+ * Copyright (C) 2004 Frank Zirkelbach
+ *
+ * This program is free software; you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation; either version 2 of the License, or
+ * (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
+ *
  */
 
 #define _GNU_SOURCE
@@ -29,16 +48,13 @@
 #define MAKE_AMORPH(N) *(N)|=AMORPH
 #define MAKE_CRYST(N) *(N)&=~AMORPH
 
-/* test globals - get removed or included in my_info struct later */
-int amorph_count;
-int cryst_count;
-
 int usage(void)
 {
  puts("usage:");
  puts("-h \t\t help");
  puts("-n \t\t no user interaction");
  puts("-Z \t\t cryst -> amorph c diffusion in z direction");
+ puts("-i \t\t no cryst to cryst diffusion");
  printf("-a <value> \t slope of nuclear energy loss (default %f)\n",A_EL);
  printf("-b <value> \t nuclear energy loss offset (default %f)\n",B_EL);
  printf("-x <value> \t # x cells (default %d)\n",X);
@@ -55,12 +71,16 @@ int usage(void)
  printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC);
  printf("-c <value> \t diffusion rate in cryst cells (default %f)\n",DR_CC);
  printf("-e <value> \t do diffusion every <value> steps (default %d)\n",DIFF_RATE);
+ puts("-g <file> <step> continue simulation from file and step (step > 0)!");
  printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
  puts("-C <file> \t convert file to gnuplot format");
  puts("-L <file> \t load from file");
  puts("-S <file> \t save to file");
  puts("-R <file> \t read from random file");
- puts("-P <file> \t specify implantatin profile file");
+ puts("-P <file> \t specify implantation profile file");
+ puts("-N <file> \t specify nuclear energy loss profile file");
+ printf("-H <value> \t collisions per ion in simulation window (default %d)\n",CPI);
+ puts("-m <value> \t specify c->a carbon saturation");
  
  return 1;
 }
@@ -90,25 +110,17 @@ int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
  p+=*conc*my_info->a_cp*URAND_MAX;
  if(!(*thiz&AMORPH))
  {
-  if(get_rand(URAND_MAX)<=p)
-  {
-   MAKE_AMORPH(thiz);
-   amorph_count++;
-  }
+  if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
  } else
  {
   /* assume 1-p probability */
-  if(get_rand(URAND_MAX)>p)
-  {
-   MAKE_CRYST(thiz);
-   cryst_count++;
-  }
+  if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
  }
  
  return 1;
 }
 
-int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
+int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u32 *rj_g)
 {
  u32 x,y,z;
  int i,j,k,c;
@@ -120,7 +132,10 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
  {
   x=get_rand(d3_l->max_x);
   y=get_rand(d3_l->max_y);
-  z=get_rand_lgp(d3_l->max_z,my_info->a_cd,my_info->b_cd);
+  // printf("nd: %d %d\n",x,y);
+  // z=get_rand_lgp(d3_l->max_z,my_info->a_cd,my_info->b_cd);
+  z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
+  // printf("%d\n",z);
   *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
   (my_info->cc)++;
  }
@@ -135,8 +150,8 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
    for(k=0;k<d3_l->max_z;k++)
    {
     offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
-    /* case amorph - amorph <-> cryst diffusion */
-    if(*(d3_l->status+offset)&AMORPH)
+    /* case amorph: amorph <- cryst diffusion */
+    if(*(d3_l->status+offset)&AMORPH && *(d3_l->extra+offset)<my_info->c_sat)
     {
      for(c=-1;c<=1;c++)
      {
@@ -158,7 +173,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
       {
        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;
        carry=0;
-       if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));                             
+       if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
        if(carry!=0)
        {
         *(d3_l->extra+offset)+=carry; 
@@ -168,23 +183,33 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
      }
      if(my_info->z_diff)
      {
-      for(c=-1;c<=1;c++)
+      if(k!=0)
       {
-       if(c!=0)
+       off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
+       carry=0;
+       if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
+       if(carry!=0)
        {
-        off=i+j*d3_l->max_x+((k+c+d3_l->max_z)%d3_l->max_z)*d3_l->max_x*d3_l->max_y;
-        carry=0;
-        if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
-        if(carry!=0)
-        {
-         *(d3_l->extra+off)-=carry;
-         *(d3_l->extra+offset)+=carry;
-        }
+        *(d3_l->extra+off)-=carry;
+        *(d3_l->extra+offset)+=carry;
+       }
+      }
+      if(k!=d3_l->max_z-1)
+      {
+       off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
+       carry=0;
+       if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
+       if(carry!=0)
+       {
+        *(d3_l->extra+off)-=carry;
+        *(d3_l->extra+offset)+=carry;
        }
       }
      }  
     } else
-    /* case not amorph - cryst <-> cryst diffusion */
+    /* case not amorph: cryst <-> cryst diffusion */
+    if(my_info->c_diff) {
+    /* if there is c diff, no diff in z-direction */
     {
      for(c=-1;c<=1;c++) 
      {
@@ -194,7 +219,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
        carry=0;
        if(!(*(d3_l->status+off)&AMORPH))
        {
-        carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
+        carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
         if(carry!=0)
         {
          *(d3_l->extra+offset)+=carry;
@@ -211,7 +236,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
        carry=0;
        if(!(*(d3_l->status+off)&AMORPH))
        {
-	carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
+	carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
 	if(carry!=0)
         {
          *(d3_l->extra+offset)+=carry;
@@ -221,6 +246,9 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
       }
      }
     }
+    /* end test */
+    }
+    /* */
    } /* for z */
   } /* for y */
  } /* for x */
@@ -305,6 +333,224 @@ int calc_max_extra(d3_lattice *d3_l)
  return max;
 }
 
+int write_ac_distr(d3_lattice *d3_l,int ac_distr)
+{
+ int fd,x,y,z;
+ int count,offset;
+ char file[16];
+
+ if(ac_distr==1) strcpy(file,"a.plot");
+ if(ac_distr==2) strcpy(file,"c.plot");
+ if(ac_distr==3) strcpy(file,"b.plot");
+
+ if((fd=open(file,O_WRONLY|O_CREAT))<0)
+ {
+  puts("cannot open plot file");
+  return -1;
+ }
+
+ for(z=0;z<d3_l->max_z;z++)
+ {
+  count=0;
+  for(x=0;x<d3_l->max_x;x++)
+  {
+   for(y=0;y<d3_l->max_y;y++)
+   {
+    offset=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
+    if(ac_distr==1)
+     if(*(d3_l->status+offset)&AMORPH) count+=*(d3_l->extra+offset);
+    if(ac_distr==2)
+     if(!(*(d3_l->status+offset)&AMORPH)) count+=*(d3_l->extra+offset);
+    if(ac_distr==3) count+=*(d3_l->extra+offset);
+   }
+  }
+  dprintf(fd,"%d %d\n",z,count);
+ }
+ close(fd);
+ 
+ return 1;
+}
+
+int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
+{
+ int fd,i,j,size=0,foo=0,end=0;
+ int width=0,height=0;
+ char bmpfile[MAX_CHARS];
+ char buf[128];
+
+ if(((window==4)||(window==5))&&(d3_l->max_z<FFT_HEIGHT) )
+ {
+  puts("error: z < FFT_HEIGHT!");
+  puts("not writing bmp file ...");
+  return -1;
+ }
+
+ if(window%3==1)
+ {
+  sprintf(bmpfile,"x-z_%d.bmp",y);
+  foo=3*d3_l->max_x;
+  if(window==1)
+  {
+   size=(foo+(4-foo%4))*d3_l->max_z;
+   height=d3_l->max_z;
+  }
+  else 
+  {
+   size=(foo+(4-foo%4))*FFT_HEIGHT;
+   end=d3_l->max_z-FFT_HEIGHT;
+   height=FFT_HEIGHT;
+  }
+  width=d3_l->max_x;
+ }
+ if(window%3==2)
+ {
+  sprintf(bmpfile,"y-z_%d.bmp",x);
+  foo=3*d3_l->max_y;
+  if(window==2)
+  {
+   size=(foo+(4-foo%4))*d3_l->max_z;
+   height=d3_l->max_z;
+  }
+  else 
+  {
+   size=(foo+(4-foo%4))*FFT_HEIGHT;
+   end=d3_l->max_z-FFT_HEIGHT;
+   height=FFT_HEIGHT;
+  }
+  width=d3_l->max_y;
+ }
+ if(window==3)
+ {
+  sprintf(bmpfile,"x-y_%d.bmp",z);
+  foo=3*d3_l->max_x;
+  size=(foo+(4-foo%4))*d3_l->max_y;
+  width=d3_l->max_x;
+  height=d3_l->max_y;
+ }
+
+ if((fd=open(bmpfile,O_WRONLY|O_CREAT))<0)
+ {
+  puts("cannot open bmp file");
+  return -1;
+ }
+
+ /* bmpheader */
+ buf[0]='B'; /* std header start */
+ buf[1]='M';
+ buf[2]=(size+0x36)&0xff; /* file size */
+ buf[3]=(size+0x36)>>8;
+ memset(buf+4,0,6);
+ buf[10]=0x36; /* offset to data */
+ memset(buf+11,0,3);
+ buf[14]=0x28; /* length of bmp info header */
+ memset(buf+15,0,3);
+ buf[18]=width&0xff; /* width and height */
+ buf[19]=width>>8;
+ memset(buf+20,0,2);
+ buf[22]=height&0xff;
+ buf[23]=height>>8;
+ memset(buf+24,0,2);
+ buf[26]=1; /* # planes -> 1 */
+ buf[27]=0;
+ buf[28]=24; /* bits per pixel -> 2^24 (true color) */
+ buf[29]=0;
+ memset(buf+30,0,4); /* compression -> none */
+ buf[34]=size&0xff; /* data size */
+ buf[35]=size>>8;
+ memset(buf+36,0,2);
+ buf[38]=0x12; /* res: pixel/meter */
+ buf[39]=0x0b;
+ memset(buf+40,0,2);
+ buf[42]=0x12;
+ buf[43]=0x0b;
+ memset(buf+44,0,2); 
+ memset(buf+46,0,8); /* no colors, no important colors */
+
+ if(write(fd,buf,54)<54)
+ {
+  puts("failed writing bmp header");
+  return -1;
+ }
+ if(window%3==1)
+ {
+  for(j=0;j<d3_l->max_z-end;j++)
+  {
+   for(i=0;i<d3_l->max_x;i++)
+   {
+    if(*(d3_l->status+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) memset(buf,0xff,3);
+    else memset(buf,0,3);
+    if(write(fd,buf,3)<3)
+    {
+     puts("failed writing rgb values to bmp file");
+     return-1;
+    }
+   }
+   if(foo%4)
+   {
+    memset(buf,0,4-foo%4);
+    if(write(fd,buf,4-foo%4)<4-foo%4)
+    {
+     puts("failed writing 4 byte ending");
+     return -1;
+    }
+   } 
+  }
+ }
+ if(window%3==2)
+ {
+  for(j=0;j<d3_l->max_z-end;j++)
+  {
+   for(i=0;i<d3_l->max_y;i++)
+   {
+    if(*(d3_l->status+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) memset(buf,0xff,3);
+    else memset(buf,0,3);
+    if(write(fd,buf,3)<3)
+    {
+     puts("failed writing rgb values to bmp file");
+     return-1;
+    }
+   }
+   if(foo%4)
+   {
+    memset(buf,0,4-foo%4);
+    if(write(fd,buf,4-foo%4)<4-foo%4)
+    {
+     puts("failed writing 4 byte ending");
+     return -1;
+    }
+   }
+  }
+ }
+ if(window==3)
+ {
+  for(j=0;j<d3_l->max_y;j++)
+  {
+   for(i=0;i<d3_l->max_x;i++)
+   {
+    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);
+    else memset(buf,0,3);
+    if(write(fd,buf,3)<3)
+    {
+     puts("failed writing rgb values to bmp file");
+     return -1;
+    }
+   }
+   if(foo%4)
+   {
+    memset(buf,0,4-foo%4);
+    if(write(fd,buf,4-foo%4)<4-foo%4)
+    {
+     puts("failed writing 4 byte ending");
+     return -1;
+    }
+   }
+  }
+ }
+ close(fd);
+
+ return 1;
+}
+
 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
 {
  int sf_fd,c;
@@ -452,16 +698,83 @@ int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
  return 1;
 }
 
+u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
+ double a,b;
+ int i,j,k;
+ int fd;
+ char buf[32],*p;
+ unsigned char *flag;
+ u32 max;
+
+ max=0;
+ if((fd=open(file,O_RDONLY))<0)
+ {
+  puts("cannot open file to calculate rejection graph");
+  return -1;
+ }
+ if((flag=(unsigned char *)malloc(d3_l->max_z))==NULL)
+ {
+  puts("cannot malloc flag memory for rejection graph");
+  return -1;
+ }
+ memset(flag,0,d3_l->max_z);
+ memset(graph,0,d3_l->max_z*sizeof(u32));
+ /* get fixpoints */
+ k=1;
+ while(k)
+ {
+  for(i=0;i<32;i++)
+  {
+   k=read(fd,&buf[i],1);
+   if((buf[i]=='\n')||(k==0)) break;
+  }
+  if(k)
+  {
+   p=strtok(buf," ");
+   a=atof(p)/10; /* nm */
+   p=strtok(NULL," ");
+   b=atof(p);
+   if(a>d3_l->max_z*CELL_LENGTH) k=0;
+   else 
+   {
+    graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX*b);
+    flag[(int)(a/CELL_LENGTH)]=1;
+   }
+  }
+ }
+ /* do (linear) interpolation here! */
+ i=0;
+ a=0;
+ while(i<d3_l->max_z)
+ {
+  /* graph[0] is 0! */
+  j=i;
+  i++;
+  while(flag[i]==0&&i<d3_l->max_z) i++;
+  for(k=j+1;k<i;k++) graph[k]=(int)((k-j)*((int)graph[i]-(int)graph[j])/(i-j))+graph[j];
+  if(graph[i]>max) max=graph[i];
+ }
+
+ free(flag);
+
+ // printf("debug: (interpolated c profile)\n");
+ // for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
+
+ return max;
+}
+
 int main(int argc,char **argv)
 {
  u32 x,y,z,x_c,y_c,z_c;
- int i,quit,escape,switchmode,nowait;
+ int i,j,quit,escape,switchmode,nowait,bmp,ac_distr;
  int refresh,resave;
+ int c_step;
  char s_file[MAX_CHARS];
  char s_file_tmp[MAX_CHARS];
  char l_file[MAX_CHARS];
  char c_file[MAX_CHARS];
  char p_file[MAX_CHARS];
+ char n_e_file[MAX_CHARS];
  char convert;
  char r_file[MAX_CHARS];
 #ifdef USE_DFB_API
@@ -489,7 +802,12 @@ int main(int argc,char **argv)
  info my_info;
  unsigned char mode;
  double c_ratio;
+#ifdef USE_DFB_API
  int max_extra;
+#endif
+ u32 *c_profile;
+ u32 *n_e_loss;
+ u32 ne_max,ip_max;
 
  d3_l.max_x=X;
  d3_l.max_y=Y;
@@ -499,6 +817,7 @@ int main(int argc,char **argv)
  refresh=REFRESH;
  resave=RESAVE;
  my_info.z_diff=0;
+ my_info.c_diff=1;
  my_info.a_el=A_EL;
  my_info.b_el=B_EL;
  my_info.a_cd=A_CD;
@@ -510,20 +829,23 @@ int main(int argc,char **argv)
  my_info.dr_ac=DR_AC;
  my_info.dr_cc=DR_CC;
  my_info.diff_rate=DIFF_RATE;
+ my_info.cpi=CPI;
+ my_info.c_sat=C_SAT;
  nowait=0;
  quit=0;
  escape=0;
  switchmode=0;
+ c_step=0;
  strcpy(s_file,"");
  strcpy(l_file,"");
  strcpy(c_file,"");
  strcpy(p_file,IMP_PROFILE);
+ strcpy(n_e_file,NEL_PROFILE);
  convert=0;
  strcpy(r_file,"");
  mode=0;
-
- amorph_count=0;
- cryst_count=0;
+ ne_max=0;
+ ip_max=0;
 
  for(i=1;i<argc;i++)
  {
@@ -555,6 +877,10 @@ int main(int argc,char **argv)
     case 'Z':
      my_info.z_diff=1;
      break;
+    case 'i':
+     my_info.c_diff=0;
+     my_info.dr_cc=0;
+     break;
     case 's':
      my_info.steps=atoi(argv[++i]);
      break;
@@ -608,6 +934,19 @@ int main(int argc,char **argv)
     case 'P':
      strcpy(p_file,argv[++i]);
      break;
+    case 'N':
+     strcpy(n_e_file,argv[++i]);
+     break;
+    case 'g':
+     strcpy(l_file,argv[++i]);
+     if(i<argc-1) if(argv[i+1][0]!='-') c_step=atoi(argv[++i]);
+     break;
+    case 'H':
+     my_info.cpi=atoi(argv[++i]);
+     break;
+    case 'm':
+     my_info.c_sat=atoi(argv[++i]);
+     break;
     default:
      usage();
      return -1;
@@ -660,7 +999,7 @@ int main(int argc,char **argv)
    return 1;
   } 
 #ifdef USE_DFB_API
-    else d3_lattice_init(&argc,argv,&d3_l);
+  else d3_lattice_init(&argc,argv,&d3_l);
 #endif
  }
 
@@ -673,12 +1012,13 @@ int main(int argc,char **argv)
  sprintf(s_txt,"steps: %d",my_info.steps);
  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));
  sprintf(r_txt,"pressure range: %d",my_info.range);
- sprintf(ap_txt,"a_ap: %.2f  b_ap: %.3f",my_info.a_ap,my_info.b_ap);
- sprintf(el_txt,"a_el: %.2f  b_el: %.3f",my_info.a_el,my_info.b_el);
- sprintf(cd_txt,"a_cd: %.2f  b_cd: %.3f",my_info.a_cd,my_info.b_cd);
- sprintf(cp_txt,"a_cp: %.4f",my_info.a_cp);
- sprintf(dr_ac_txt,"a/c diffusion rate: %.4f",my_info.dr_ac);
- sprintf(dr_cc_txt,"c/c diffusion rate: %.4f",my_info.dr_cc);
+ sprintf(ap_txt,"a_ap: %f  b_ap: %f",my_info.a_ap,my_info.b_ap);
+ sprintf(el_txt,"a_el: %f  b_el: %f",my_info.a_el,my_info.b_el);
+ sprintf(cd_txt,"a_cd: %f  b_cd: %f",my_info.a_cd,my_info.b_cd);
+ sprintf(cp_txt,"a_cp: %f",my_info.a_cp);
+ sprintf(dr_ac_txt,"a/c diffusion rate: %f",my_info.dr_ac);
+ if(my_info.c_diff!=0) sprintf(dr_cc_txt,"c/c diffusion rate: %f",my_info.dr_cc);
+ else sprintf(dr_cc_txt,"c/c diffusion rate: none");
  sprintf(zdiff_txt,"diffusion in z direction: %c",my_info.z_diff?'y':'n');
  sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate);
  strcpy(mode_txt,"view: a/c mode");
@@ -709,29 +1049,60 @@ int main(int argc,char **argv)
  arg_v[25]=dr_cc_txt;
 #endif
 
- if(!strcmp(l_file,""))
+ if((!strcmp(l_file,""))||(c_step))
  {
+  /* calculate ratio of c_simwindow / c_total */
   if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
   {
    puts("failed calculating ratio");
    return -1;
   }
-  i=0;
+  /* compute graphs for random number rejection method */
+  if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
+  {
+   puts("failed allocating memory for carbon profile graph");
+   return -1;
+  }
+  if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
+  {
+   puts("failed allocating memory for nuclear energy loss graph");
+   return -1;
+  }
+  ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile);
+  ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss);
+
+#ifdef DEBUG_RAND
+ while(1)
+ {
+#ifdef DEBUG_CP
+  printf("%d\n",get_rand_reject(d3_l.max_z,ip_max,c_profile));
+#endif
+#ifdef DEBUG_NEL
+  printf("%d\n",get_rand_reject(d3_l.max_z,ne_max,n_e_loss));
+#endif
+ }
+#endif
+
+  i=(c_step?c_step:0);
   while((i<my_info.steps) && (quit==0) && (escape==0))
   {
-   x_c=get_rand(d3_l.max_x);
-   y_c=get_rand(d3_l.max_y);
-   z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
-   distrib_c(&d3_l,&my_info,i,c_ratio);
-   process_cell(&d3_l,x_c,y_c,z_c,&my_info);
+   for(j=0;j<my_info.cpi;j++)
+   {
+    x_c=get_rand(d3_l.max_x);
+    y_c=get_rand(d3_l.max_y);
+    // z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
+    z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
+    process_cell(&d3_l,x_c,y_c,z_c,&my_info);
+   }
+   distrib_c(&d3_l,&my_info,i,c_ratio,ip_max,c_profile);
 #ifdef USE_DFB_API
    if(i%refresh==0)
    {
     sprintf(xyz_txt,"x: %d  y: %d  z: %d",x+1,y+1,z+1);
     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');
     sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
-    sprintf(steps_txt,"step: %d  a_count: %d",i,amorph_count);
-    sprintf(cc_txt,"total c: %d  c_count: %d",my_info.cc,cryst_count);
+    sprintf(steps_txt,"step: %d",i);
+    sprintf(cc_txt,"total c: %d",my_info.cc);
     d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
    }
 #endif
@@ -780,7 +1151,11 @@ int main(int argc,char **argv)
   if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
   if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
   d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
-  scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode);
+  bmp=0;
+  ac_distr=0;
+  scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp,&ac_distr);
+  if(bmp) write_bmp(&d3_l,bmp,x,y,z);
+  if(ac_distr) write_ac_distr(&d3_l,ac_distr);
  }
 
  d3_lattice_release(&d3_l);