added set_temp and set_timestep stages

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index a3c4f742afc5d90a443623b38989d830a18312c6..e33d93429eb2804afd579da1fcecc69806ac58d7 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -272,11 +272,9 @@ int main(int argc,char **argv) {
        /* cutoff radius & bondlen */
 #ifdef ALBE
        set_cutoff(&md,ALBE_S_SI);
        /* cutoff radius & bondlen */
 #ifdef ALBE
        set_cutoff(&md,ALBE_S_SI);

-       set_bondlen(&md,ALBE_S_SI,ALBE_S_C,ALBE_S_SIC);

        //set_cutoff(&md,ALBE_S_C);
 #else
        set_cutoff(&md,TM_S_SI);
        //set_cutoff(&md,ALBE_S_C);
 #else
        set_cutoff(&md,TM_S_SI);

-       set_bondlen(&md,TM_S_SI,TM_S_C,-1.0);

        //set_cutoff(&md,TM_S_C);
 #endif
 
        //set_cutoff(&md,TM_S_C);
 #endif