--- /dev/null
+/*
+ * lennard_jones.h - lennard jones potential header file
+ *
+ * author: Frank Zirkelbach <frank.zirkelbach@physik.uni-augsburg.de>
+ *
+ */
+
+#ifndef LENNARD_JONES_H
+#define LENNARD_JONES_H
+
+/* types */
+typedef struct s_lj_params {
+ double sigma6;
+ double sigma12;
+ double epsilon4;
+ double uc;
+} t_lj_params;
+
+/* function prototype */
+int lennard_jones(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
+
+#endif