X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_correlation_calc.c;h=efe81ad64b9f85c6bae270acc937a0cb6015496e;hb=0d1dfb1e5027d215fced8ca306dd658f692a2a44;hp=b3386c737f99b8cc687143f4aa9ac4c7967a1367;hpb=dba459043b15508734aa055b87ea89ce429bd5e3;p=physik%2Fposic.git

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index b3386c7..efe81ad 100644
--- 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;
@@ -63,6 +64,9 @@ int main(int argc,char **argv) {
 		return -1;
 	}
 
+	/* link cell init */
+	link_cell_init(&moldyn,VERBOSE);
+
 	calculate_pair_correlation(&moldyn,dr,stat);
 
 	fd=open("pair_corr_func.txt",
@@ -75,5 +79,7 @@ int main(int argc,char **argv) {
 
 	free(stat);
 
+	moldyn_free_save_file(&moldyn);
+
 	return 0;
 }