Implementing a Anisotropic pair potential which applies a torque depending on the particles angular momenta.

[khofmann6]

Hello,

I'm currently trying to implement an Anisotropic pair potential. As a starting point, I used the files provided in
hoomd-blue/example_plugins/pair_plugin/... and adapted them. This works perfectly.

Now to my issue: I need the pair potential to calculate torques on the particles depended on the angular momentum of particle i and j. How can I access/read the current particle values like velocity or angular momentum of particle tag_i and tag_j inside "EvaluatorPairLJRot.h" (see attached .txt file) and use them for calculations.

Thank you!
EvaluatorPairLJRot.txt

[joaander]

You cannot access the particle velocity or angular momentum. The AnisoPotentialPair infrastructure assumes that the energy, force, and torque on a pair of particles is a function of their relative positions and orientations only. You can derive a custom class from ForceCompute that relaxes these assumption.

[khofmann6]

Thank you, i will try this