X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_correlation_calc.c;h=c7716a304193c2ce993a493ae78d1af027aa3aa5;hb=2346d076f3d0955fb3a7bfb47f2b17b9eae6dd5b;hp=f04c4e48c4081b50856eca067bacc84cd9426d76;hpb=19bf7f2ba36f79406db4efbf1201481a846762ac;p=physik%2Fposic.git

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index f04c4e4..c7716a3 100644
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -52,7 +52,7 @@ int main(int argc,char **argv) {
 	//moldyn.cutoff_square*=4;
 
 	dr=atof(argv[2]);
-	slots=moldyn.cutoff/dr;
+	slots=2.0*moldyn.cutoff/dr;
 	printf("[pair corr calc]\n");
 	printf("  slots: %d\n",slots);
 	printf("  cutoff: %f\n",moldyn.cutoff);
@@ -76,5 +76,7 @@ int main(int argc,char **argv) {
 
 	free(stat);
 
+	moldyn_free_save_file(&moldyn);
+
 	return 0;
 }