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added 2b bond check for tersoff
[physik/posic.git]
/
pair_correlation_calc.c
diff --git
a/pair_correlation_calc.c
b/pair_correlation_calc.c
index
56369f6
..
efe81ad
100644
(file)
--- a/
pair_correlation_calc.c
+++ b/
pair_correlation_calc.c
@@
-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",