From d3d65b8212c02f787a16cb312bf08b7712e89550 Mon Sep 17 00:00:00 2001
From: hackbard <hackbard>
Date: Sat, 25 Nov 2006 23:09:34 +0000
Subject: [PATCH] foo

---
 moldyn.c | 25 ++++++++++++++++++++++---
 moldyn.h |  2 +-
 2 files changed, 23 insertions(+), 4 deletions(-)

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;
 }
 
diff --git a/moldyn.h b/moldyn.h
index 1df6dfa..a76b3b4 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -232,7 +232,7 @@ typedef struct s_tersoff_mult_params {
 #define MOLDYN_POTENTIAL_TM		0x02
 
 #define MOLDYN_SET_POTENTIAL		0x00
-#define MOLDYN_SET_
+#define MOLDYN_SET_TEMPERATURE		0x01
 #define MOLDYN_SET_
 #define MOLDYN_SET_
 
-- 
2.20.1