Example #1
0
        public void PreCompute()
        {
            Atom.templateAtoms.Add(new Copper());
            Atom.templateAtoms.Add(new Gold());
            Atom.templateAtoms.Add(new Platinum());

            // delete the template atoms from the list of m_AllAtoms in Atom.cs
            for (int i = 0; i < Atom.templateAtoms.Count; i++)
            {
                Atom.AllAtoms.Clear();
            }

            if (StaticVariables.currentPotential == StaticVariables.Potential.LennardJones)
            {
                LennardJones.preCompute();
            }
            if (StaticVariables.currentPotential == StaticVariables.Potential.Buckingham)
            {
                Buckingham.preCompute();
            }
        }