corrected default r to 0.5*lmin

2022-07-15 18:44:51 +09:00
parent aec2a2c6d2
commit baa8342e12
3 changed files with 5 additions and 1 deletions
@@ -369,7 +369,7 @@ int main(int argn, char **argv){
  readheader(f, &head);
  rewind(f);

-  if (com.GRmax == -1)  com.GRmax = head.lmax*0.5;
+  if (com.GRmax == -1)  com.GRmax = head.lmin*0.5;
  printf("Maximum cell length = %lf\n", head.lmax);
  printf("Rmax = %lf\n", com.GRmax);
  data = malloc(head.atoms * sizeof(DATA));