Navigation : Manual Input Variables - Atomic Orbitals - Calculation Modes - ClassicalParticles -- LennardJonesEpsilon -- LennardJonesSigma -- ParticleCharge -- ParticleInitialPosition -- ParticleInitialVelocity - DFTBPlusInterface - Execution - Hamiltonian - Linear Response - Math - Maxwell - Mesh - Output - SCF - States - System - Time-Dependent - Utilities - Alphabetic Index Tutorials Developers Releases LennardJonesEpsilon A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X LennardJonesEpsilon Section ClassicalParticles Type float Epsilon parameter (dispersion energy) of Lennard-Jones interaction for this species. In case two particles have a different epsilon, the combination rule will be computed $\epsilon_{12} = \sqrt{\epsilon_1 + \epsilon_2}$. Source information classical/classical_particle.F90 : 145 call parse_variable(namespace, 'LennardJonesEpsilon', M_ONE, this%lj_epsilon(1)) Featured in testfiles multisystem/14-lennard-jones.01-classical-particles-N2.inp