From: hackbard Date: Wed, 19 May 2010 15:14:14 +0000 (+0200) Subject: added s2xyz tools X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=98c1ca4feaacee4f319a6c288aa2b0cef65033e4;p=physik%2Fposic.git added s2xyz tools --- diff --git a/s2xyz.c b/s2xyz.c new file mode 100644 index 0000000..5163e41 --- /dev/null +++ b/s2xyz.c @@ -0,0 +1,55 @@ +/* + * calcultae pair correlation function + * + * author: frank.zirkelbach@physik.uni-augsburg.de + * + */ + +#define _GNU_SOURCE +#include +#include +#include +#include +#include +#include +#include + +#include "moldyn.h" + +#define ME "[s2xyz]" + +int main(int argc,char **argv) { + + t_moldyn moldyn; + int i,ret; + char color[2][64]; + char type[2][8]; + + memset(&moldyn,0,sizeof(t_moldyn)); + + strcpy(color[0],"Yellow"); + strcpy(type[0],"Si"); + strcpy(color[1],"Gray"); + strcpy(type[1],"C"); + + ret=moldyn_read_save_file(&moldyn,argv[1]); + if(ret) { + printf("%s exit!\n",ME); + return ret; + } + + + printf("# [P] %d 0 <0,0,0>\n",moldyn.count); + + for(i=0;i $TRG" + ./s2xyz $i > $TRG +done + + +