testing

diff --git a/moldyn.c b/moldyn.c
index 515a273..de7bbbf 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -758,6 +758,7 @@ int potential_force_calc(t_moldyn *moldyn) {
        moldyn->energy=0.0;
 
        for(i=0;i<count;i++) {
+printf("BAR %d %d\n",i,count);
        
                /* reset force */
                v3_zero(&(atom[i].f));

diff --git a/sic.c b/sic.c
index 95adb8a..649d1e9 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -92,12 +92,12 @@ int main(int argc,char **argv) {
 
        /* create the simulation schedule */
        printf("[sic] adding schedule\n");
-       moldyn_add_schedule(&md,10000,1.0e-15);
+       moldyn_add_schedule(&md,100,1.0e-15);
 
        /* 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