added postproc stuff, sic mods (today i was a lazy ass!)

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index 5f2a8db..fa2a396 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -23,13 +23,15 @@
 
 #define INJECT         1
 #define NR_ATOMS       1
-#define R_C            2.0
+#define R_C            1.0
 #define T_C            10.0
-#define LCNT           2
+#define LCNT           5
 
 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 */