Combining a Tersoff and a Lennard Jones potential

[Jenny]

Hi, everyone.

I tried to follow as the tutorial did in http://quantumwise.com/publications/tutorials/item/848-adding-combining-and-modifying-classical-potentials
I can not locate the line where the 'C' element definition in the script, even after I set Script Detail to Show Defaults.

So, instead, I correct my script to

potentialSet = Tersoff_C_2010()
potentialSet.addParticleType(ParticleType(symbol='C',
                                          mass=12.0107*atomic_mass_unit,
                                          charge=None,
                                          # Sigma and epsilon from Ref [3].
                                          sigma=3.3611*Ang,
                                          epsilon=0.004207*eV))
potentialSet.addParticleType(ParticleType(symbol='Li',
                                          mass=6.941*atomic_mass_unit,
                                          charge=None,
                                          # Sigma and epsilon from Ref [3].
                                          sigma=0.826*Ang,
                                          epsilon=0.271115*eV))
potentialSet.addPotential(LennardJonesPotential(particleType1='C',
                                                particleType2='Li',
                                                r_cut=9.0*Ang))
potentialSet.addPotential(LennardJonesPotential(particleType1='Li',
                                                particleType2='Li',
                                                r_cut=9.0*Ang))
                                         
calculator = TersoffCalculator(parameters=potentialSet)

However, when I run the script, an error comes up, saying "Tersoff_C_2010 instance has no attribute 'addParticleType' ". So, how could I modify my script to make it work as it suggested in the tutorial?
BTW, I'm using atk-13.8.1 version.

Thank you very much.

Jenny

[Anders Blom]

That functionality is only available in 2014 (I think) and certainly 2015.