X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_correlation_calc.c;h=c7716a304193c2ce993a493ae78d1af027aa3aa5;hb=2346d076f3d0955fb3a7bfb47f2b17b9eae6dd5b;hp=b3386c737f99b8cc687143f4aa9ac4c7967a1367;hpb=dba459043b15508734aa055b87ea89ce429bd5e3;p=physik%2Fposic.git

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index b3386c7..c7716a3 100644
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -41,6 +41,7 @@ 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");
@@ -51,7 +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);
@@ -75,5 +76,7 @@ int main(int argc,char **argv) {
 
 	free(stat);
 
+	moldyn_free_save_file(&moldyn);
+
 	return 0;
 }