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Hello, I'm currently trying to implement an Anisotropic pair potential. As a starting point, I used the files provided in 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! |
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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 |
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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.