X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_correlation_calc.c;h=efe81ad64b9f85c6bae270acc937a0cb6015496e;hb=0d1dfb1e5027d215fced8ca306dd658f692a2a44;hp=e5903aaeaa3e5a2379f589048476d587560cbe99;hpb=4d1515cac0af6b11df3d34a0bb19ea885676ee73;p=physik%2Fposic.git

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index e5903aa..efe81ad 100644
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -48,11 +48,11 @@ int main(int argc,char **argv) {
 		return ret;
 	}
 
-	//moldyn.cutoff*=2;
-	//moldyn.cutoff_square*=4;
+	moldyn.cutoff*=2;
+	moldyn.cutoff_square*=4;
 
 	dr=atof(argv[2]);
-	slots=2.0*moldyn.cutoff/dr;
+	slots=moldyn.cutoff/dr;
 	printf("[pair corr calc]\n");
 	printf("  slots: %d\n",slots);
 	printf("  cutoff: %f\n",moldyn.cutoff);
@@ -64,6 +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",
@@ -76,5 +79,7 @@ int main(int argc,char **argv) {
 
 	free(stat);
 
+	moldyn_free_save_file(&moldyn);
+
 	return 0;
 }