This PR refactors the way pair potentials are attached to make it more explicit that they are tabulated, and how the tabulation is done.
I also removed the fmax option to PairPotentialTabulator. It is currently rarely used, and since the energy/derivative are not adjusted to account for fmax, this could lead to correctness issues in relative entropy optimization. We can reimplement this one day if we need it.
Miscellaneous: hides the _validate method of the tabulator so it does not show up in documentation.
This PR refactors the way pair potentials are attached to make it more explicit that they are tabulated, and how the tabulation is done.
I also removed the
fmaxoption toPairPotentialTabulator. It is currently rarely used, and since the energy/derivative are not adjusted to account forfmax, this could lead to correctness issues in relative entropy optimization. We can reimplement this one day if we need it.Miscellaneous: hides the
_validatemethod of the tabulator so it does not show up in documentation.Fixes #185