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function potential_energy(coordinates, simulation::NBodySimulation) |
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e_potential = 0 |
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system = simulation.system |
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n = length(system.bodies) |
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if :lennard_jones ∈ keys(system.potentials) |
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p = system.potentials[:lennard_jones] |
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(ms, indxs) = obtain_data_for_lennard_jones_interaction(system) |
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e_potential += lennard_jones_potential(p, indxs, coordinates, simulation.boundary_conditions) |
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end |
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if :electrostatic ∈ keys(system.potentials) |
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p = system.potentials[:electrostatic] |
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(qs, ms, indxs, exclude) = obtain_data_for_electrostatic_interaction(simulation.system) |
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e_potential += electrostatic_potential(p, indxs, exclude, qs, coordinates, simulation.boundary_conditions) |
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end |
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e_potential |
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end |
The current implementation for calculating the potential energy of the system is hardcoded to only recognize a couple of built-in potential functions. NBS supports adding custom potentials for the simulation, but they can't be included in analysis of the energies afterwards. Could this be extended to custom potentials through dynamic dispatch?
