dr=atof(argv[1]);
first=1;
+ stat=NULL;
+ total=NULL;
for(j=2;j<argc;j++) {
return ret;
}
- moldyn.cutoff*=2;
- moldyn.cutoff_square*=4;
+ //moldyn.cutoff*=2;
+ //moldyn.cutoff_square*=4;
+ moldyn.cutoff=6.0;
+ moldyn.cutoff_square=36.0;
slots=moldyn.cutoff/dr;
printf("[pair corr calc]\n");