X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;h=1f9bbbe7b0932a7a20ee7881ef2ef005d8114395;hb=c1f74e23422d004f7b9d2493cc747871c7ebfbae;hp=6dc00274419ea5eb5e333bcae3e780e2e0651f4f;hpb=5db010c4414a56e61298c7a42c7b7ca7ca46d40e;p=physik%2Fposic.git

diff --git a/sic.c b/sic.c
index 6dc0027..1f9bbbe 100644
--- a/sic.c
+++ b/sic.c
@@ -21,15 +21,17 @@
 #include "potentials/tersoff.h"
 #endif
 
-#define INJECT		1600
+#define INJECT		1
 #define NR_ATOMS	1
-#define R_C		2.0
+#define R_C		1.0
 #define T_C		10.0
-#define LCNT		20
+#define LCNT		3
 
 typedef struct s_hp {
 	int a_count;	/* atom count */
 	u8 quit;	/* quit mark */
+	int argc;	/* arg count */
+	char **argv;	/* args */
 } t_hp;
 
 int hook(void *moldyn,void *hook_params) {
@@ -75,6 +77,9 @@ int hook(void *moldyn,void *hook_params) {
 			r.x=(rand_get_double(&(md->random))-0.5)*md->dim.x*0.37;
 			r.y=(rand_get_double(&(md->random))-0.5)*md->dim.y*0.37;
 			r.z=(rand_get_double(&(md->random))-0.5)*md->dim.z*0.37;
+			//r.x=(1.0*atoi(hp->argv[3])-4.5)/9.0*ALBE_LC_SI;
+			//r.y=(1.0*atoi(hp->argv[4])-4.5)/9.0*ALBE_LC_SI;
+			//r.z=(1.0*atoi(hp->argv[5])-4.5)/9.0*ALBE_LC_SI;
 			/* assume valid coordinates */
 			run=0;
 			for(i=0;i<md->count;i++) {
@@ -104,10 +109,10 @@ int hook(void *moldyn,void *hook_params) {
 int main(int argc,char **argv) {
 
 	/* check argv */
-	if(argc!=3) {
-		printf("[sic] usage: %s <logdir> <temperatur>\n",argv[0]);
-		return -1;
-	}
+	//if(argc!=3) {
+	//	printf("[sic] usage: %s <logdir> <temperatur>\n",argv[0]);
+	//	return -1;
+	//}
 
 	/* main moldyn structure */
 	t_moldyn md;
@@ -352,6 +357,8 @@ int main(int argc,char **argv) {
 
 	/* schedule hook function */
 	memset(&hookparam,0,sizeof(t_hp));
+	hookparam.argc=argc;
+	hookparam.argv=argv;
 	moldyn_set_schedule_hook(&md,&hook,&hookparam);
 
 	/* activate logging */