avgrst fix + introduced px,py,pz into moldyn (for future use)

[physik/posic.git] / pair_correlation_calc.c

diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index 56369f64d092492058e08946de595870e45a6392..efe81ad64b9f85c6bae270acc937a0cb6015496e 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",