X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fnlsop.git;a=blobdiff_plain;f=nlsop.c;h=243cd9207ea90677c010cda6ebc9c7bfe6eb1a5b;hp=712702bd2043b1ce3fdb8a6d3f89b758355f17cb;hb=14f4760167409b235fb1d03e1f12733c85037eb6;hpb=99e88e953032564c9b4fb80bf23f5acf29515a7f

diff --git a/nlsop.c b/nlsop.c
index 712702b..243cd92 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
@@ -32,6 +51,7 @@
 /* test globals - get removed or included in my_info struct later */
 int amorph_count;
 int cryst_count;
+unsigned char c_diff;
 
 int usage(void)
 {
@@ -39,6 +59,7 @@ int usage(void)
  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 +76,13 @@ 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");
  
  return 1;
 }
@@ -135,7 +157,7 @@ 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 */
+    /* case amorph: amorph <- cryst diffusion */
     if(*(d3_l->status+offset)&AMORPH)
     {
      for(c=-1;c<=1;c++)
@@ -184,7 +206,11 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
       }
      }  
     } else
-    /* case not amorph - cryst <-> cryst diffusion */
+    /* case not amorph: cryst <-> cryst diffusion */
+
+    /* test ! */
+    if(c_diff) {
+    /* */
     {
      for(c=-1;c<=1;c++) 
      {
@@ -194,7 +220,7 @@ 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 +237,7 @@ 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 +247,9 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
       }
      }
     }
+    /* end test */
+    }
+    /* */
    } /* for z */
   } /* for y */
  } /* for x */
@@ -233,7 +262,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
 int calc_pressure(d3_lattice *d3_l,int range)
 {
  int i,j,off;
- double count;
+ double count,max=0;
  int x,y,z;
 
  for(x=0;x<d3_l->max_x;x++)
@@ -254,7 +283,30 @@ int calc_pressure(d3_lattice *d3_l,int range)
       }
      }
     }
-    *(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_VPTR);
+    if(count>max) max=count;
+   }
+  }
+ }
+
+ for(x=0;x<d3_l->max_x;x++)
+ {
+  for(y=0;y<d3_l->max_y;y++)
+  {
+   for(z=0;z<d3_l->max_z;z++)
+   {
+    count=0;
+    for(i=-range;i<=range;i++)
+    {
+     for(j=-range;j<=range;j++)
+     {
+      if(i!=0 && j!=0)
+      {
+       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;
+       if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
+      }
+     }
+    }
+    *(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);
    }
   }
  }
@@ -262,6 +314,206 @@ int calc_pressure(d3_lattice *d3_l,int range)
  return 1;
 }
 
+int calc_max_extra(d3_lattice *d3_l)
+{
+ int x,y,z;
+ int off,max=0;
+
+ for(x=0;x<d3_l->max_x;x++)
+ {
+  for(y=0;y<d3_l->max_y;y++)
+  {
+   for(z=0;z<d3_l->max_z;z++)
+   {
+    off=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
+    if(*(d3_l->extra+off)>max) max=*(d3_l->extra+off);
+   }
+  }
+ }
+
+ return max;
+}
+
+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;
@@ -412,8 +664,9 @@ int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
 int main(int argc,char **argv)
 {
  u32 x,y,z,x_c,y_c,z_c;
- int i,quit,escape,switchmode,nowait;
+ int i,quit,escape,switchmode,nowait,bmp;
  int refresh,resave;
+ int c_step;
  char s_file[MAX_CHARS];
  char s_file_tmp[MAX_CHARS];
  char l_file[MAX_CHARS];
@@ -446,6 +699,9 @@ int main(int argc,char **argv)
  info my_info;
  unsigned char mode;
  double c_ratio;
+#ifdef USE_DFB_API
+ int max_extra;
+#endif
 
  d3_l.max_x=X;
  d3_l.max_y=Y;
@@ -455,6 +711,7 @@ int main(int argc,char **argv)
  refresh=REFRESH;
  resave=RESAVE;
  my_info.z_diff=0;
+ c_diff=1;
  my_info.a_el=A_EL;
  my_info.b_el=B_EL;
  my_info.a_cd=A_CD;
@@ -470,6 +727,7 @@ int main(int argc,char **argv)
  quit=0;
  escape=0;
  switchmode=0;
+ c_step=0;
  strcpy(s_file,"");
  strcpy(l_file,"");
  strcpy(c_file,"");
@@ -511,6 +769,10 @@ int main(int argc,char **argv)
     case 'Z':
      my_info.z_diff=1;
      break;
+    case 'i':
+     c_diff=0;
+     my_info.dr_cc=0;
+     break;
     case 's':
      my_info.steps=atoi(argv[++i]);
      break;
@@ -564,6 +826,10 @@ int main(int argc,char **argv)
     case 'P':
      strcpy(p_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;
     default:
      usage();
      return -1;
@@ -616,7 +882,7 @@ 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
  }
 
@@ -629,12 +895,13 @@ 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(ap_txt,"a_ap: %.3f  b_ap: %.3f",my_info.a_ap,my_info.b_ap);
+ sprintf(el_txt,"a_el: %.3f  b_el: %.3f",my_info.a_el,my_info.b_el);
+ sprintf(cd_txt,"a_cd: %.3f  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);
+ if(my_info.dr_cc!=0) sprintf(dr_cc_txt,"c/c diffusion rate: %.4f",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");
@@ -665,14 +932,14 @@ int main(int argc,char **argv)
  arg_v[25]=dr_cc_txt;
 #endif
 
- if(!strcmp(l_file,""))
+ if((!strcmp(l_file,""))||(c_step))
  {
   if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
   {
    puts("failed calculating ratio");
    return -1;
   }
-  i=0;
+  i=(c_step?c_step:0);
   while((i<my_info.steps) && (quit==0) && (escape==0))
   {
    x_c=get_rand(d3_l.max_x);
@@ -688,7 +955,7 @@ int main(int argc,char **argv)
     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);
-    d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode);
+    d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
    }
 #endif
    if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
@@ -718,6 +985,7 @@ int main(int argc,char **argv)
  }
  /* calc values */
  calc_pressure(&d3_l,my_info.range);
+ max_extra=calc_max_extra(&d3_l);
 
  while((quit==0) && (escape==0) && (nowait==0))
  {
@@ -729,13 +997,16 @@ int main(int argc,char **argv)
   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: end!  a_count: %d",amorph_count);
-  sprintf(cc_txt,"total c: %d  c_count: %d",my_info.cc,cryst_count);
+  sprintf(steps_txt,"step: end");
+  sprintf(cc_txt,"total c: %d",my_info.cc);
   if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
   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);
-  scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode);
+  d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
+  bmp=0;
+  scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp);
+  if(bmp) write_bmp(&d3_l,bmp,x,y,z);
+
  }
 
  d3_lattice_release(&d3_l);