X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=pair_correlation_calc.c;h=f6a256fc32eff3fdfae609c5c559a52ee3d50a8f;hb=e1080fc0dd66b0cf5b7715c5e99e7a34ac04a8cf;hp=2f93ab74985b86f60820caf1b5c6e1e5968a6f23;hpb=dff2917d22ed07707d222bc10fab7370356699dc;p=physik%2Fposic.git

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index 2f93ab7..f6a256f 100644
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -39,14 +39,23 @@ int main(int argc,char **argv) {
 		return -1;
 	}
 
+	memset(&moldyn,0,sizeof(t_moldyn));
+
 	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;
+
 	dr=atof(argv[2]);
-	slots=(int)(moldyn.cutoff/dr);
+	slots=moldyn.cutoff/dr;
+	printf("[pair corr calc]\n");
+	printf("  slots: %d\n",slots);
+	printf("  cutoff: %f\n",moldyn.cutoff);
+	printf("  dr: %f\n",dr);
 
 	stat=(double *)malloc(3*slots*sizeof(double));
 	if(stat==NULL) {