untested finished nlsop* binaries - configure script needs to get adjusted.

[physik/nlsop.git] / nlsop.c

diff --git a/nlsop.c b/nlsop.c
index fc34c8a..578a1de 100644 (file)
--- a/nlsop.c
+++ b/nlsop.c
@@ -55,9 +55,9 @@ 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("-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);
+ 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);
  printf("-s <value> \t steps (default %d)\n",STEPS);
  printf("-d <value> \t refresh display (default %d)\n",REFRESH);
  printf("-r <value> \t amorphous influence range (default %d)\n",RANGE);
@@ -65,7 +65,6 @@ int usage(void)
  printf("-p <value> \t ballistic amorphization influence (default %f)\n",B_D);
  printf("-F <value> \t carbon induced amorphization influence (default %f)\n",C_D);
  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);
@@ -204,74 +203,30 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,u32 rj_m,u32 *rj_g)
        }
       }
      }
-     if(my_info->z_diff)
+     /* z diff */
+     if(k!=0)
      {
-      if(k!=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-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;
-       }
-      }
-      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 */
-    if(my_info->c_diff) {
-    /* if there is c diff, no diff in z-direction */
-    {
-     for(c=-1;c<=1;c++) 
-     {
-      if(c!=0)
-      {
-       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_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
-        if(carry!=0)
-        {
-         *(d3_l->extra+offset)+=carry;
-         *(d3_l->extra+off)-=carry;
-        }
-       }
+       *(d3_l->extra+off)-=carry;
+       *(d3_l->extra+offset)+=carry;
       }
      }
-     for(c=-1;c<=1;c++)
+     if(k!=d3_l->max_z-1)
      {
-      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+c+d3_l->max_x)%d3_l->max_x)+j*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_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
-       if(carry!=0)
-        {
-         *(d3_l->extra+offset)+=carry;
-        *(d3_l->extra+off)-=carry;
-       }
-       }
+       *(d3_l->extra+off)-=carry;
+       *(d3_l->extra+offset)+=carry;
       }
      }
     }
-    /* end test */
-    }
-    /* */
    } /* for z */
   } /* for y */
  } /* for x */
@@ -1159,21 +1114,18 @@ int main(int argc,char **argv)
  u32 ne_max,ip_max;
  u32 nel_z;
 
- d3_l.max_x=X;
- d3_l.max_y=Y;
- d3_l.max_z=Z;
+ d3_l.max_x=_X;
+ d3_l.max_y=_Y;
+ d3_l.max_z=_Z;
  my_info.steps=STEPS;
  my_info.range=RANGE;
  refresh=REFRESH;
  resave=RESAVE;
- my_info.z_diff=0;
- my_info.c_diff=1;
  my_info.s=S_D;
  my_info.b=B_D;
  my_info.c=C_D;
  my_info.cc=CC;
  my_info.dr_ac=DR_AC;
- my_info.dr_cc=DR_CC;
  my_info.diff_rate=DIFF_RATE;
  my_info.cpi=CPI;
  my_info.s_rate=S_RATE;
@@ -1218,13 +1170,6 @@ int main(int argc,char **argv)
     case 'z':
      d3_l.max_z=atoi(argv[++i]);
      break;
-    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;
@@ -1254,9 +1199,6 @@ int main(int argc,char **argv)
     case 'D':
      my_info.dr_ac=atof(argv[++i]);
      break;
-    case 'c':
-     my_info.dr_cc=atof(argv[++i]);
-     break;
     case 'e':
      my_info.diff_rate=atoi(argv[++i]);
      break;
@@ -1371,9 +1313,7 @@ int main(int argc,char **argv)
  sprintf(ballistic_txt,"ballistic term: %f",my_info.b);
  sprintf(carbon_txt,"carbon term: %f",my_info.c);
  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(zdiff_txt,"diffusion in z direction: yes");
  sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate);
  strcpy(mode_txt,"view: a/c mode");
  sprintf(hpi_txt,"hits per ion: %d",my_info.cpi);