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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;
}
return ret;
}
+ //moldyn.cutoff*=2;
+ //moldyn.cutoff_square*=4;
+
dr=atof(argv[2]);
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) {
stat=(double *)malloc(3*slots*sizeof(double));
if(stat==NULL) {