float-store bugfix (unstatisfying!) + slightly new design of sic.c

[physik/posic.git] / pair_correlation_calc.c

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index f193614..f6a256f 100644 (file)
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -47,8 +47,15 @@ int main(int argc,char **argv) {
                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) {