even more testing ...

[physik/posic.git] / posic.c

diff --git a/posic.c b/posic.c
index 992f9d1..8bbfe0e 100644 (file)
--- a/posic.c
+++ b/posic.c
@@ -60,7 +60,7 @@ int main(int argc,char **argv) {
        /* testing purpose
        count=2;
        si=malloc(2*sizeof(t_atom));
-       si[0].r.x=0.23*sqrt(3.0)*LC_SI/2.0;
+       si[0].r.x=0.13*sqrt(3.0)*LC_SI/2.0;
        si[0].r.y=0;
        si[0].r.z=0;
        si[0].element=SI;
@@ -111,7 +111,7 @@ int main(int argc,char **argv) {
        lj.epsilon4=4.0*LJ_EPSILON_SI;
 
        ho.equilibrium_distance=0.25*sqrt(3.0)*LC_SI;
-       ho.spring_constant=4.0*LJ_EPSILON_SI;
+       ho.spring_constant=1.0;
 
        u=get_e_pot(&md);