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fixed bond analyze, introduced more comfortable set potential function,
[physik/posic.git]
/
pair_correlation_calc.c
diff --git
a/pair_correlation_calc.c
b/pair_correlation_calc.c
index
f04c4e4
..
56369f6
100644
(file)
--- a/
pair_correlation_calc.c
+++ b/
pair_correlation_calc.c
@@
-48,8
+48,8
@@
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=moldyn.cutoff/dr;
@@
-76,5
+76,7
@@
int main(int argc,char **argv) {
free(stat);
+ moldyn_free_save_file(&moldyn);
+
return 0;
}