Hello,
How can I add LJ potential between layers of hBN?
are sigma and epsilon the parameters of LJ potential in the following lines from the python script?
potentialSet.addParticleType(ParticleType(symbol='B', mass=10.811 * atomic_mass_unit, charge=None, sigma=None, sigma14=None, epsilon=None, epsilon14=None, atomicNumber=5))
potentialSet.addParticleType(ParticleType(symbol='N', mass=14.0067 * atomic_mass_unit, charge=None, sigma=None, sigma14=None, epsilon=None, epsilon14=None, atomicNumber=7))
Best regards,
Payam Norouzzadeh