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 LennardJonesSigma A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X LennardJonesSigma Section ClassicalParticles Type float Sigma parameter (particle size) of Lennard-Jones interaction for this species. In case two particles have a different sigma, the combination rule will be computed $\sigma_{12} = (\sigma_1 + \sigma_2) / 2. Source information classical/classical_particle.F90 : 145 call parse_variable(namespace, 'LennardJonesSigma', M_ONE, this%lj_sigma(1)) Featured in testfiles multisystem/14-lennard-jones.01-classical-particles-N2.inp