mods to corect 3bp derivative, still segfaulting ...

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index 8073559..d141782 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -96,7 +96,7 @@ int main(int argc,char **argv) {
 
        /* set (initial) dimensions of simulation volume */
        printf("[sic] setting dimensions\n");
-       set_dim(&md,5*LC_SI,5*LC_SI,5*LC_SI,TRUE);
+       set_dim(&md,2*LC_SI,2*LC_SI,2*LC_SI,TRUE);
 
        /* set periodic boundary conditions in all directions */
        printf("[sic] setting periodic boundary conditions\n");
@@ -107,7 +107,7 @@ int main(int argc,char **argv) {
        create_lattice(&md,DIAMOND,LC_SI,SI,M_SI,
                       ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
                       //ATOM_ATTR_2BP|ATOM_ATTR_HB,
-                      0,5,5,5);
+                      0,2,2,2);
 
        /* setting a nearest neighbour distance for the moldyn checks */
        set_nn_dist(&md,0.25*sqrt(3.0)*LC_SI); /* diamond ! */