more mods

[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index d72ac16..85bbfd7 100644 (file)
--- a/moldyn.h
+++ b/moldyn.h
@@ -23,6 +23,8 @@ typedef struct s_atom {
 
 /* defines */
 
+#define K_BOLTZMANN            1.3807E-23;
+
 #define FCC                    0x01
 #define DIAMOND                        0x02
 
@@ -36,6 +38,6 @@ 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);
 
 #endif