X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fnlsop.git;a=blobdiff_plain;f=nlsop.c;h=deb65c9f208c6cb334a19ee2dd414e44020d7d06;hp=2945c141eae68faf446986696d76188bde8bb420;hb=9899974f9866f0dbf6dac7e338d2c48bc422fbbd;hpb=ac8af737383695808832d74f318fbaad901895bd

diff --git a/nlsop.c b/nlsop.c
index 2945c14..deb65c9 100644
--- a/nlsop.c
+++ b/nlsop.c
@@ -55,8 +55,6 @@ int usage(void)
  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);
  printf("-y <value> \t # y cells (default %d)\n",Y);
  printf("-z <value> \t # z cells (default %d)\n",Z);
@@ -66,8 +64,6 @@ int usage(void)
  printf("-f <value> \t pressure = <value> * 1/distance^2 (default %f)\n",A_AP);
  printf("-p <value> \t pressure offset (default %f)\n",B_AP);
  printf("-F <value> \t proportionality constant between c conc and ability to get amorphous (default %f)\n",A_CP);
- printf("-A <value> \t slope of linear c distribution (default %f)\n",A_CD);
- printf("-B <value> \t linear c distribution offset (default %f)\n",B_CD);
  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);
@@ -85,17 +81,17 @@ int usage(void)
  return 1;
 }
 
-int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
+int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
 {
  unsigned char *thiz;
  int *conc;
  int i,j;
  int off;
- double p;
+ double p,q;
 
  thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
  conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
- p=my_info->b_ap*URAND_MAX;
+ p=my_info->b_ap*nel_z;
  for(i=-(my_info->range);i<=my_info->range;i++)
  {
   for(j=-(my_info->range);j<=my_info->range;j++)
@@ -114,6 +110,17 @@ int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
  } else
  {
   /* assume 1-p probability */
+  /* also look for neighbours ! */
+  q=(URAND_MAX-p)>0?URAND_MAX-p:0;
+  j=0;
+  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;
+  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;
+  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;
+  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;
+  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;
+  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;
+
+  p+=((q/6)*j);
   if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
  }
  
@@ -132,10 +139,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3
  {
   x=get_rand(d3_l->max_x);
   y=get_rand(d3_l->max_y);
-  // 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)++;
  }
@@ -771,7 +775,7 @@ int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
    a=atof(p)/10; /* nm */
    p=strtok(NULL," ");
    b=atof(p);
-   if(a>my_info->b_cd*CELL_LENGTH && a<(my_info->b_cd+d3_l->max_z)*CELL_LENGTH) d+=b;
+   if(a<=d3_l->max_z*CELL_LENGTH) d+=b;
    all+=b;
   }
  }
@@ -820,7 +824,7 @@ u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
    if(a>d3_l->max_z*CELL_LENGTH) k=0;
    else 
    {
-    graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX*b);
+    graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
     flag[(int)(a/CELL_LENGTH)]=1;
    }
   }
@@ -840,8 +844,10 @@ u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
 
  free(flag);
 
- // printf("debug: (interpolated c profile)\n");
- // for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
+#ifdef DEBUG_INTERPOL_PROFILE
+ printf("debug: (interpolated profile)\n");
+ for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
+#endif
 
  return max;
 }
@@ -869,8 +875,6 @@ int main(int argc,char **argv)
  char a_txt[MAX_TXT];
  char s_txt[MAX_TXT];
  char ap_txt[MAX_TXT];
- char el_txt[MAX_TXT];
- char cd_txt[MAX_TXT];
  char r_txt[MAX_TXT];
  char cp_txt[MAX_TXT];
  char zdiff_txt[MAX_TXT];
@@ -879,6 +883,8 @@ int main(int argc,char **argv)
  char dr_cc_txt[MAX_TXT];
  char dose_txt[MAX_TXT];
  char mode_txt[MAX_TXT];
+ char hpi_txt[MAX_TXT];
+ char csat_txt[MAX_TXT];
  char *arg_v[MAX_ARGV];
 #endif
  d3_lattice d3_l;
@@ -891,6 +897,7 @@ int main(int argc,char **argv)
  u32 *c_profile;
  u32 *n_e_loss;
  u32 ne_max,ip_max;
+ u32 nel_z;
 
  d3_l.max_x=X;
  d3_l.max_y=Y;
@@ -901,10 +908,6 @@ int main(int argc,char **argv)
  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;
- my_info.b_cd=B_CD;
  my_info.a_ap=A_AP;
  my_info.b_ap=B_AP;
  my_info.a_cp=A_CP;
@@ -942,12 +945,6 @@ int main(int argc,char **argv)
     case 'n':
      nowait=1;
      break;
-    case 'a':
-     my_info.a_el=atof(argv[++i]);
-     break;
-    case 'b':
-     my_info.b_el=atof(argv[++i]);
-     break;
     case 'x':
      d3_l.max_x=atoi(argv[++i]);
      break;
@@ -982,12 +979,6 @@ int main(int argc,char **argv)
     case 'F':
      my_info.a_cp=atof(argv[++i]);
      break;
-    case 'A':
-     my_info.a_cd=atof(argv[++i]);
-     break;
-    case 'B':
-     my_info.b_cd=atof(argv[++i]);
-     break;
     case 'W':
      resave=atoi(argv[++i]);
      break;
@@ -1096,8 +1087,6 @@ int main(int argc,char **argv)
  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: %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);
@@ -1105,31 +1094,33 @@ int main(int argc,char **argv)
  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");
- arg_v[1]=xyz_txt;
- arg_v[2]=NULL;
+ sprintf(hpi_txt,"hits per ion: %d",my_info.cpi);
+ sprintf(csat_txt,"carbon saturation: %d",my_info.c_sat);
+ arg_v[1]=mode_txt;
+ arg_v[2]=xyz_txt;
  arg_v[3]=status_txt;
  arg_v[4]=conc_txt;
  arg_v[5]=NULL;
- arg_v[6]=mode_txt;
- arg_v[7]=NULL;
- arg_v[8]=steps_txt;
- arg_v[9]=cc_txt;
- arg_v[10]=NULL;
- arg_v[11]=diff_txt;
- arg_v[12]=zdiff_txt;
- arg_v[13]=NULL;
- arg_v[14]=a_txt;
- arg_v[15]=s_txt;
- arg_v[16]=dose_txt;
- arg_v[17]=NULL;
- arg_v[18]=r_txt;
- arg_v[19]=ap_txt;
- arg_v[20]=el_txt;
- arg_v[21]=cd_txt;
- arg_v[22]=cp_txt;
+ arg_v[6]=steps_txt;
+ arg_v[7]=cc_txt;
+ arg_v[8]=NULL;
+ arg_v[9]=a_txt;
+ arg_v[10]=s_txt;
+ arg_v[11]=dose_txt;
+ arg_v[12]=diff_txt;
+ arg_v[13]=zdiff_txt;
+ arg_v[14]=r_txt;
+ arg_v[15]=ap_txt;
+ arg_v[16]=cp_txt;
+ arg_v[17]=dr_ac_txt;
+ arg_v[18]=dr_cc_txt;
+ arg_v[19]=hpi_txt;
+ arg_v[20]=csat_txt;
+ arg_v[21]=NULL;
+ arg_v[22]=NULL;
  arg_v[23]=NULL;
- arg_v[24]=dr_ac_txt;
- arg_v[25]=dr_cc_txt;
+ arg_v[24]=NULL;
+ arg_v[25]=NULL;
 #endif
 
  if((!strcmp(l_file,""))||(c_step))
@@ -1162,6 +1153,9 @@ int main(int argc,char **argv)
 #endif
 #ifdef DEBUG_NEL
   printf("%d\n",get_rand_reject(d3_l.max_z,ne_max,n_e_loss));
+#endif
+#ifdef DEBUG_NORM
+  printf("%d\n",get_rand(d3_l.max_z));
 #endif
  }
 #endif
@@ -1173,9 +1167,10 @@ int main(int argc,char **argv)
    {
     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);
+    // z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
+    z_c=get_rand(d3_l.max_z);
+    nel_z=URAND_MAX*(1.0*n_e_loss[z_c]/ne_max);
+    process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z);
    }
    distrib_c(&d3_l,&my_info,i,c_ratio,ip_max,c_profile);
 #ifdef USE_DFB_API