projects
/
physik
/
posic.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
nearly finished init stuff (probs with rand function!)
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
1f9800c
..
65f0d8d
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-9,6
+9,7
@@
#define MOLDYN_H
#include "math/math.h"
#define MOLDYN_H
#include "math/math.h"
+#include "random/random.h"
/* datatypes */
/* datatypes */
@@
-23,6
+24,8
@@
typedef struct s_atom {
/* defines */
/* defines */
+#define K_BOLTZMANN 1.3807E-23
+
#define FCC 0x01
#define DIAMOND 0x02
#define FCC 0x01
#define DIAMOND 0x02
@@
-37,5
+40,9
@@
typedef struct s_atom {
int create_lattice(unsigned char type,int element,double mass,double lc,
int a,int b,int c,t_atom **atom);
int create_lattice(unsigned char type,int element,double mass,double lc,
int a,int b,int c,t_atom **atom);
+int destroy_lattice(t_atom *atom);
+int thermal_init(t_atom *atom,t_random *random,int count,double t);
+int scale_velocity(t_atom *atom,int count,double t);
+double get_e_kin(t_atom *atom,int count);
#endif
#endif