X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=moldyn.h;h=65f0d8da10cfa0753b72ffdeac86dadf7d407917;hb=3ffe2a08e25fc091b6241885055450009267e2d8;hp=d72ac1623d9c655aa3d0a2efb27fdb46639bb231;hpb=710717c4033bc5b8eb34644914e762a2834ae345;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index d72ac16..65f0d8d 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -9,6 +9,7 @@
 #define MOLDYN_H
 
 #include "math/math.h"
+#include "random/random.h"
 
 /* datatypes */
 
@@ -23,6 +24,8 @@ typedef struct s_atom {
 
 /* defines */
 
+#define K_BOLTZMANN		1.3807E-23
+
 #define FCC			0x01
 #define DIAMOND			0x02
 
@@ -36,6 +39,10 @@ typedef struct s_atom {
 /* function prototypes */
 
 int create_lattice(unsigned char type,int element,double mass,double lc,
-                   t_3dvec *dim,t_atom **atom);
+                   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