import tabulate scripts for table files

tools/tabulate/angle_harmonic_tabulate.py

@@ -0,0 +1,21 @@
+#!/usr/bin/env python3
+
+from tabulate import AngleTabulate
+
+################################################################################
+import math
+
+def harmonic_energy(theta):
+    k = 100.0
+    thetazero = 120.0
+    # the force constant in LAMMPS is in energy per radians^2 so convert from degrees to radians
+    deg2rad = math.pi / 180.0
+    t = (theta - thetazero) * deg2rad
+    f = k * t * t
+    return f
+
+################################################################################
+
+if __name__ == "__main__":
+    atable = AngleTabulate(harmonic_energy, units='real')
+    atable.run('HARM')