X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic.c;h=8bbfe0e39fa869bb5cdf7de287d851456374dcb9;hb=bdb198c5a5fe38361d10f98e7db366b0915e56fb;hp=992f9d153d91286f9fbf7d13ef773f1630460cf5;hpb=8358faac044f73487d64f5ba46690dd84367e532;p=physik%2Fposic.git diff --git a/posic.c b/posic.c index 992f9d1..8bbfe0e 100644 --- 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);