From: hackbard Date: Mon, 20 Mar 2006 14:34:19 +0000 (+0000) Subject: added cvsignore file, more modifications X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=ccac57196d1648755ea7c0bc338a31915c21a268;p=physik%2Fposic.git added cvsignore file, more modifications --- diff --git a/.cvsignore b/.cvsignore new file mode 100644 index 0000000..3905f95 --- /dev/null +++ b/.cvsignore @@ -0,0 +1,5 @@ +.cvsignore +archive +saves +video +posic diff --git a/posic.c b/posic.c index 006fd99..d8491f4 100644 --- a/posic.c +++ b/posic.c @@ -15,7 +15,10 @@ int main(int argc,char **argv) { //t_si *c; int i,j,runs,amount_si; double time; - int fd; + int fd1,fd2; + unsigned char xyz[128]; + unsigned char scr[128]; + unsigned char ppm[128]; double tau,tau2,m,m2; double deltax,deltay,deltaz,distance; @@ -52,13 +55,6 @@ int main(int argc,char **argv) { tau=TAU; tau2=tau*tau; - /* rasmol */ - printf("opening the rasmol file\n"); - fd=open("rasmol.xyz",O_WRONLY); - if(fd<0) { - perror("rasmol file open"); - return -1; - } printf("starting velocity verlet: "); fflush(stdout); @@ -132,21 +128,43 @@ int main(int argc,char **argv) { si[i].vz+=(tau*si[i].fz/m2); } - time+=tau; + if(!(runs%10)) { - /* print out positions in rasmol format */ - dprintf(fd,"%d\nTime %f\n",amount_si,time); + /* rasmol script & xyz file */ + sprintf(xyz,"./saves/si-%.15f.xyz",time); + sprintf(scr,"./saves/si-%.15f.scr",time); + sprintf(ppm,"./video/si-%.15f.ppm",time); + fd1=open(xyz,O_WRONLY|O_CREAT|O_TRUNC); + fd2=open(scr,O_WRONLY|O_CREAT|O_TRUNC); + if((fd1<0)||(fd2<0)) { + perror("rasmol file open"); + return -1; + } + dprintf(fd2,"load xyz %s\n",xyz); + dprintf(fd2,"spacefill 200\n"); + dprintf(fd2,"rotate x 11\n"); + dprintf(fd2,"rotate y 13\n"); + dprintf(fd2,"set ambient 20\n"); + dprintf(fd2,"set specular on\n"); + dprintf(fd2,"set write on\n"); + dprintf(fd2,"write ppm %s\n",ppm); + dprintf(fd1,"%d\nsilicon\n",amount_si); for(i=0;i