adapted all potential to new scheme + necessary mods to main code

[physik/posic.git] / pair_correlation_calc.c

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index b3386c737f99b8cc687143f4aa9ac4c7967a1367..56369f64d092492058e08946de595870e45a6392 100644 (file)
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -41,14 +41,15 @@ int main(int argc,char **argv) {
 
        memset(&moldyn,0,sizeof(t_moldyn));
 
+       printf("[pair corr calc] reading save file ...\n");
        ret=moldyn_read_save_file(&moldyn,argv[1]);
        if(ret) {
                printf("[pair corr calc] exit!\n");
                return ret;
        }
 
-       //moldyn.cutoff*=2;
-       //moldyn.cutoff_square*=4;
+       moldyn.cutoff*=2;
+       moldyn.cutoff_square*=4;
 
        dr=atof(argv[2]);
        slots=moldyn.cutoff/dr;
@@ -75,5 +76,7 @@ int main(int argc,char **argv) {
 
        free(stat);
 
+       moldyn_free_save_file(&moldyn);
+
        return 0;
 }