strncpy(v->fb,filebase,128);
memset(file,0,128+8);
- sprintf(file,"%s.scr",v->fb);
+ sprintf(file,"%s/visualize.scr",v->fb);
- v->fd=open(file,O_WRONLY|O_CREAT|O_TRUNC);
+ v->fd=open(file,O_WRONLY|O_CREAT|O_EXCL,S_IRUSR|S_IWUSR);
if(v->fd<0) {
perror("open visual fd");
return -1;
char file[128+64];
t_3dvec dim;
- dim.x=10e9*v->dim.x;
- dim.y=10e9*v->dim.y;
- dim.z=10e9*v->dim.z;
+ dim.x=v->dim.x;
+ dim.y=v->dim.y;
+ dim.z=v->dim.z;
- sprintf(file,"%s-%.15f.xyz",v->fb,time);
- fd=open(file,O_WRONLY|O_CREAT|O_TRUNC);
+ sprintf(file,"%s/visualize_%07.f.xyz",v->fb,time);
+ fd=open(file,O_WRONLY|O_CREAT|O_TRUNC,S_IRUSR|S_IWUSR);
if(fd<0) {
perror("open visual save file fd");
return -1;
/* script file update */
dprintf(v->fd,"load xyz %s\n",file);
- dprintf(v->fd,"spacefill 270\n");
+ dprintf(v->fd,"spacefill 200\n");
dprintf(v->fd,"rotate x 100\n");
dprintf(v->fd,"rotate y 10\n");
dprintf(v->fd,"set ambient 20\n");
dprintf(v->fd,"set specular on\n");
dprintf(v->fd,"set boundbox on\n");
//dprintf(v->fd,"label\n");
- sprintf(file,"%s-%.15f.ppm",v->fb,time);
+ sprintf(file,"%s/visualize_%07.f.ppm",v->fb,time);
dprintf(v->fd,"write ppm %s\n",file);
dprintf(v->fd,"zap\n");
/* write the actual data file */
dprintf(fd,"%d\n",(dim.x==0)?n:n+8);
- dprintf(fd,"atoms at time %.15f\n",time);
+ dprintf(fd,"atoms at time %07.f\n",time);
for(i=0;i<n;i++)
dprintf(fd,"%s %f %f %f\n",pse[atom[i].element],
- 10e9*atom[i].r.x,
- 10e9*atom[i].r.y,
- 10e9*atom[i].r.z);
+ atom[i].r.x,
+ atom[i].r.y,
+ atom[i].r.z);
if(dim.x) {
dprintf(fd,"%s %f %f %f\n",pse[0],dim.x/2,dim.y/2,dim.z/2);
dprintf(fd,"%s %f %f %f\n",pse[0],-dim.x/2,dim.y/2,dim.z/2);