added potential header files

[physik/posic.git] / potentials / lennard_jones.h

diff --git a/potentials/lennard_jones.h b/potentials/lennard_jones.h
new file mode 100644 (file)
index 0000000..617658b
--- /dev/null
+++ b/potentials/lennard_jones.h
@@ -0,0 +1,22 @@
+/*
+ * 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