X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic.c;h=4eb2d043e4be7972848ef059b4f69ad39204ce6d;hb=eceebe3ee412aa8cea3e6a7f0038883707f78460;hp=d7a659a34b17466ef1d2d8405677f797236e6f60;hpb=3ffe2a08e25fc091b6241885055450009267e2d8;p=physik%2Fposic.git

diff --git a/posic.c b/posic.c
index d7a659a..4eb2d04 100644
--- a/posic.c
+++ b/posic.c
@@ -22,6 +22,7 @@ int main(int argc,char **argv) {
 
 	int a,b,c;
 	double t,e;
+	t_3dvec p;
 	int count;
 
 	char fb[32]="saves/fcc_test";
@@ -31,6 +32,11 @@ int main(int argc,char **argv) {
 	rand_init(&random,NULL,1);
 	random.status|=RAND_STAT_VERBOSE;
 
+	/* testing random numbers */
+	//for(a=0;a<1000000;a++)
+	//	printf("%f %f\n",rand_get_gauss(&random),
+	//	                 rand_get_gauss(&random));
+
 	visual_init(&vis,fb);
 
 	a=LEN_X;
@@ -39,13 +45,13 @@ int main(int argc,char **argv) {
 
 	t=TEMPERATURE;
 
-	printf("placing silicon atoms\n");
+	printf("placing silicon atoms ... ");
 	count=create_lattice(DIAMOND,Si,M_SI,LC_SI,a,b,c,&si);
+	printf("(%d) ok!\n",count);
 
 	printf("setting thermal fluctuations\n");
 	thermal_init(si,&random,count,t);
 
-
 	/* visualize */
 
 	visual_atoms(&vis,0.0,si,count);
@@ -56,6 +62,16 @@ int main(int argc,char **argv) {
 	printf("kinetic energy: %f\n",e);
 	printf("3/2 N k T = %f\n",1.5*count*K_BOLTZMANN*t);
 
+	/* check total momentum */
+	p=get_total_p(si,count);
+	printf("total momentum: %f\n",v3_norm(&p));
+
+	/*
+	 * let's do the actual md algorithm now
+	 *
+	 * integration of newtons equations
+	 */
+
 	/* close */
 
 	visual_tini(&vis);