projects
/
physik
/
posic.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
|
inline
| side by side (parent:
2c65282
)
foo
author
hackbard
<hackbard>
Sat, 25 Nov 2006 23:09:34 +0000
(23:09 +0000)
committer
hackbard
<hackbard>
Sat, 25 Nov 2006 23:09:34 +0000
(23:09 +0000)
moldyn.c
patch
|
blob
|
history
moldyn.h
patch
|
blob
|
history
diff --git
a/moldyn.c
b/moldyn.c
index
8b80242
..
c7243e0
100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-547,6
+547,18
@@
int link_cell_shutdown(t_moldyn *moldyn) {
return 0;
}
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
/*
*
* '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->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++) {
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;
}
return 0;
}
diff --git
a/moldyn.h
b/moldyn.h
index
1df6dfa
..
a76b3b4
100644
(file)
--- 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_POTENTIAL_TM 0x02
#define MOLDYN_SET_POTENTIAL 0x00
-#define MOLDYN_SET_
+#define MOLDYN_SET_
TEMPERATURE 0x01
#define MOLDYN_SET_
#define MOLDYN_SET_
#define MOLDYN_SET_
#define MOLDYN_SET_