X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=66f774eb068cd1b296d7f7277682a74b3bf461ba;hb=0656efc2936da55ecf0b818fe33bb2acebc689c6;hp=717388abf58e080dd0ceab4539ee4fbbf3dc295d;hpb=06912ca45b46de412570a4bd5b5484aa9e8d6e6b;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index 717388a..66f774e 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -15,6 +15,7 @@
 
 /* datatypes */
 
+typedef unsigned char u8;
 
 /* the atom of the md simulation */
 
@@ -30,6 +31,10 @@ typedef struct s_atom {
 #define ATOM_ATTR_FP	0x01	/* fixed position (bulk material) */
 #define ATOM_ATTR_HB	0x02	/* coupled to heat bath (velocity scaling) */
 
+#define ATOM_ATTR_1BP	0x10	/* single paricle potential */
+#define ATOM_ATTR_2BP	0x20	/* pair potential */
+#define ATOM_ATTR_3BP	0x40	/* 3 body potential */ 
+
 /* cell lists */
 
 typedef struct s_linkcell {
@@ -99,9 +104,6 @@ typedef struct s_moldyn {
 #define MOLDYN_LVSTAT_VISUAL		0x08
 #define MOLDYN_LVSTAT_INITIALIZED	0x10
 
-#define MOLDYN_STAT_1BP			0x01
-#define MOLDYN_STAT_2BP			0x02	/* define for pair potentials */
-#define MOLDYN_STAT_3BP			0x04	/* define for 3 body pot */ 
 #define MOLDYN_STAT_PBX			0x08	/* periodic boudaries in x */
 #define MOLDYN_STAT_PBY			0x10	/* y */
 #define MOLDYN_STAT_PBZ			0x20	/* and z direction */