X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;h=9cb2c554f42c0d81e98e202ab12223d65c19b976;hb=56fe12b9eabe0cfa493e2f1b1d0d7d219ae8705b;hp=39243756cc54424fabd267711c811adb16236856;hpb=8e98c9cbbddf1c9c852874f956b0dbe2f9a4a922;p=physik%2Fposic.git

diff --git a/sic.c b/sic.c
index 3924375..9cb2c55 100644
--- a/sic.c
+++ b/sic.c
@@ -83,6 +83,10 @@ int main(int argc,char **argv) {
 	add_atom(&md,SI,M_SI,0,ATOM_ATTR_2BP,&r,&v);
 	r.x=-r.x;
 	add_atom(&md,SI,M_SI,0,ATOM_ATTR_2BP,&r,&v);
+	printf("[sic] check: there are %d atoms\n",md.count);
+	printf("[sic] check: atoms x pos: %.15f %.15f\n",md.atom[0].r.x,md.atom[1].r.x);
+	printf("[sic] check: atoms x vel: %.15f %.15f\n",md.atom[0].v.x,md.atom[1].v.x);
+	printf("[sic] check: atoms mass: %.35f %.35f\n",md.atom[0].mass,md.atom[1].mass);
 
 	/* set temperature */
 	printf("[sic] setting temperature\n");
@@ -91,6 +95,9 @@ int main(int argc,char **argv) {
 	/* initial thermal fluctuations of particles */
 	printf("[sic] thermal init\n");
 	thermal_init(&md);
+	printf("[sic] check: there are %d atoms\n",md.count);
+	printf("[sic] check: atoms x pos: %.15f %.15f\n",md.atom[0].r.x,md.atom[1].r.x);
+	printf("[sic] check: atoms x vel: %.15f %.15f\n",md.atom[0].v.x,md.atom[1].v.x);
 
 	/* create the simulation schedule */
 	printf("[sic] adding schedule\n");
@@ -98,8 +105,8 @@ int main(int argc,char **argv) {
 
 	/* activate logging */
 	printf("[sic] activate logging\n");
-	moldyn_set_log(&md,LOG_TOTAL_ENERGY,"saves/test-energy",100);
-	moldyn_set_log(&md,VISUAL_STEP,"saves/test-visual",100);
+	moldyn_set_log(&md,LOG_TOTAL_ENERGY,"saves/test-energy",1);
+	moldyn_set_log(&md,VISUAL_STEP,"saves/test-visual",1);
 
 	/*
 	 * let's do the actual md algorithm now