X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=c7243e04ef82a9d7004059429ce73e00999b52a0;hb=d3d65b8212c02f787a16cb312bf08b7712e89550;hp=8b8024257678eae44c2b1815ff2674e4c56126fc;hpb=2c65282d51589acb2f08631c7a7920cb70a46a5c;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index 8b80242..c7243e0 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -547,6 +547,18 @@ int link_cell_shutdown(t_moldyn *moldyn) {
 	return 0;
 }
 
+int moldyn_add_schedule(t_moldyn *moldyn,) {
+
+
+	return 0;
+}
+
+int moldyn_set_schedule_hook(t_moldyn *moldyn,void *hook,void *hook_params) {
+
+	
+	return 0;
+}
+
 /*
  *
  * 'integration of newtons equation' - algorithms
@@ -587,10 +599,13 @@ int moldyn_integrate(t_moldyn *moldyn) {
 	moldyn->potential_force_function(moldyn);
 
 	for(sched=0;sched<moldyn->schedule.content_count;sched++) {
-		moldyn->tau=;
-		moldyn->tau_square=;
 
-	// hier weiter ...
+		/* setting amont of runs and finite time step size */
+		moldyn->tau=schedule->tau[sched];
+		moldyn->tau_square=moldyn->tau*moldyn->tau;
+		moldyn->timesteps=schedule->runs[sched];
+
+	/* integration according to schedule */
 
 	for(i=0;i<moldyn->time_steps;i++) {
 
@@ -636,6 +651,10 @@ int moldyn_integrate(t_moldyn *moldyn) {
 		}
 	}
 
+		/* check for hooks */
+		if(schedule->hook)
+			schedule->hook(moldyn,schedule->hook_params);
+
 	return 0;
 }