X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic.c;fp=posic.c;h=d7a659a34b17466ef1d2d8405677f797236e6f60;hb=3ffe2a08e25fc091b6241885055450009267e2d8;hp=0f05b2b6b6ecd2b6bbbe0317efdb9dd7f715ab58;hpb=b040d775deb32173e6536464a3e2ad95a6a5bd55;p=physik%2Fposic.git

diff --git a/posic.c b/posic.c
index 0f05b2b..d7a659a 100644
--- a/posic.c
+++ b/posic.c
@@ -15,28 +15,54 @@
 int main(int argc,char **argv) {
 
 	t_atom *si;
+
+	t_visual vis;
+
+	t_random random;
+
 	int a,b,c;
+	double t,e;
+	int count;
 
 	char fb[32]="saves/fcc_test";
 
-	t_visual vis;
+	/* init */
 
-	int count;
+	rand_init(&random,NULL,1);
+	random.status|=RAND_STAT_VERBOSE;
+
+	visual_init(&vis,fb);
 
 	a=LEN_X;
 	b=LEN_Y;
 	c=LEN_Z;
-	
-	visual_init(&vis,fb);
 
-	/* init */
+	t=TEMPERATURE;
+
 	printf("placing silicon atoms\n");
 	count=create_lattice(DIAMOND,Si,M_SI,LC_SI,a,b,c,&si);
 
+	printf("setting thermal fluctuations\n");
+	thermal_init(si,&random,count,t);
+
+
+	/* visualize */
+
 	visual_atoms(&vis,0.0,si,count);
 
+	/* check kinetic energy */
+
+	e=get_e_kin(si,count);
+	printf("kinetic energy: %f\n",e);
+	printf("3/2 N k T = %f\n",1.5*count*K_BOLTZMANN*t);
+
+	/* close */
+
 	visual_tini(&vis);
 
+	rand_close(&random);
+	
+
 	//printf("starting velocity verlet: ");
 	//fflush(stdout);