security ci

[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index 717388a..66f774e 100644 (file)
--- 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 */