X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;fp=sic.c;h=5bdfeeab8b0cf7c64c5398146d2e5a49d6937a20;hb=d4af1d076a5e811d5c35832e7ea5f720554b295b;hp=30de32874025ff60b8dfae01224730c95032c037;hpb=25c22fe95e80365056c6a7fadc548119360ca8ce;p=physik%2Fposic.git

diff --git a/sic.c b/sic.c
index 30de328..5bdfeea 100644
--- a/sic.c
+++ b/sic.c
@@ -209,7 +209,7 @@ int main(int argc,char **argv) {
 	albe_mult_complete_params(&ap);
 
 	/* set (initial) dimensions of simulation volume */
-#ifdef ALBLE
+#ifdef ALBE
 	//set_dim(&md,8*ALBE_LC_SI,8*ALBE_LC_SI,8*ALBE_LC_SI,TRUE);
 	//set_dim(&md,8*ALBE_LC_C,8*ALBE_LC_C,8*ALBE_LC_C,TRUE);
 	set_dim(&md,8*ALBE_LC_SIC,8*ALBE_LC_SIC,8*ALBE_LC_SIC,TRUE);
@@ -223,7 +223,7 @@ int main(int argc,char **argv) {
 	set_pbc(&md,TRUE,TRUE,TRUE);
 
 	/* create the lattice / place atoms */
-#ifdef ALBLE
+#ifdef ALBE
 	//create_lattice(&md,DIAMOND,ALBE_LC_SI,SI,M_SI,
 	//create_lattice(&md,DIAMOND,ALBE_LC_C,C,M_C,
 #else
@@ -303,7 +303,7 @@ int main(int argc,char **argv) {
 	//set_pt_scale(&md,0,0,T_SCALE_BERENDSEN,100.0);
 	//set_pt_scale(&md,P_SCALE_BERENDSEN,0.001,
 	//                 T_SCALE_BERENDSEN,100.0);
-	//set_pt_scale(&md,0,0,T_SCALE_DIRECT,1.0);
+	//set_pt_scale(&md,0,0,T_SCALE_dIRECT,1.0);
 	//set_pt_scale(&md,P_SCALE_BERENDSEN,0.001,0,0);
 	
 	/* initial thermal fluctuations of particles (in equilibrium) */
@@ -311,7 +311,7 @@ int main(int argc,char **argv) {
 
 	/* create the simulation schedule */
 	/* initial configuration */
-	moldyn_add_schedule(&md,1500,1.0);
+	moldyn_add_schedule(&md,10000,1.0);
 	//moldyn_add_schedule(&md,1000,1.0);
 	//moldyn_add_schedule(&md,1000,1.0);
 	//moldyn_add_schedule(&md,1000,1.0);
@@ -345,7 +345,7 @@ int main(int argc,char **argv) {
 	 * integration of newtons equations
 	 */
 	moldyn_integrate(&md);
-#ifdef DEBUG
+#ifdef dEBUG
 return 0;
 #endif