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fixed virial calc in new albe pot
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
066ad36
..
b2d6a34
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-307,6
+307,7
@@
typedef struct s_vb {
#define MOLDYN_POTENTIAL_LJ 0x01
#define MOLDYN_POTENTIAL_TM 0x02
#define MOLDYN_POTENTIAL_AM 0x03
+#define MOLDYN_POTENTIAL_AO 0x04
#define LOG_TOTAL_ENERGY 0x01
#define LOG_TOTAL_MOMENTUM 0x02