X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_correlation_calc.c;h=efe81ad64b9f85c6bae270acc937a0cb6015496e;hb=52485a28c5f9812c0f7a2d4e0094cd8000167b24;hp=c7716a304193c2ce993a493ae78d1af027aa3aa5;hpb=2346d076f3d0955fb3a7bfb47f2b17b9eae6dd5b;p=physik%2Fposic.git

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index c7716a3..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",