Kernels ======= Kernels are separated-out formulae for the computation of potential energy and forces. Since they naturally appear in the same form in lots of places (for example Lennard-Jones potential is used in almost every non-local force field), it's appropriate to separate it out to a single class; care must be taken, however, so as for the functions to be inlined (otherwise massive performance costs will be incurred). .. toctree:: :maxdepth: 2 :caption: Kernels harmonic lj stlj sidechainlj