X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;h=3408895d66db15a8aa1fc9dd2ad8448de5dfa7c4;hb=dfbe75140f5a113f898809c529a882034507f6d1;hp=b10c6816a33a7ac60c085970f9b76cb02450e8c4;hpb=000e702c884e337f27ae66b6506ff9f9b613f8a8;p=physik%2Fposic.git

diff --git a/sic.c b/sic.c
index b10c681..3408895 100644
--- a/sic.c
+++ b/sic.c
@@ -83,6 +83,7 @@ int main(int argc,char **argv) {
 	tp.n[1]=TM_N_C;
 	tp.c[1]=TM_C_C;
 	tp.d[1]=TM_D_C;
+	tp.h[1]=TM_H_C;
 
 	tp.chi=TM_CHI_SIC;
 
@@ -94,7 +95,7 @@ int main(int argc,char **argv) {
 
 	/* set (initial) dimensions of simulation volume */
 	printf("[sic] setting dimensions\n");
-	set_dim(&md,4*LC_SI,4*LC_SI,4*LC_SI,TRUE);
+	set_dim(&md,3*LC_SI,3*LC_SI,3*LC_SI,TRUE);
 
 	/* set periodic boundary conditions in all directions */
 	printf("[sic] setting periodic boundary conditions\n");
@@ -105,7 +106,7 @@ 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,
-	               0,4,4,4);
+	               0,3,3,3);
 
 	/* setting a nearest neighbour distance for the moldyn checks */
 	set_nn_dist(&md,sqrt(3.0)*LC_SI/4.0); /* diamond ! */
@@ -124,7 +125,7 @@ int main(int argc,char **argv) {
 
 	/* create the simulation schedule */
 	printf("[sic] adding schedule\n");
-	moldyn_add_schedule(&md,100,1.0e-15);
+	moldyn_add_schedule(&md,10,1.0e-15);
 
 	/* activate logging */
 	printf("[sic] activate logging\n");