NBodySimulator.jl
NBodySimulator.jl copied to clipboard
SciML
A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics
Hi, I was wondering if it is possible to combine NBodySimulator.jl with DiffEqFlux.jl to learn interaction parameters to reproduce a given RDF. loss is the distance euclidean distance between ground...
When performing a simulation with a large number of timesteps and a non-integral `dt`, I sometimes get one more tilmestep than expected. The symptoms vary with the exact value of...
https://github.com/SciML/NBodySimulator.jl/blob/5c9d950f8b9cfb7a1d361366d41d8852b2bdb089/src/nbody_simulation_result.jl#L135-L151 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...
Hello and thanks for this project, is there a reason why simulations are only possible in 3 dimensions?
It would be nice, if there were an option to store the forces acting on the bodies separated by interaction type and a function similar to `get_positions` and `get_velocities` that...
This continues a conversation that started here: https://github.com/JuliaDiffEq/MultiScaleArrays.jl/issues/25#issuecomment-371539346 HierarchicalMatrices.jl gives a convenient way to implement the fast multipole method, which exploits low rank structure to make matrix multiplication fast. This...
This PR removes the `ODEProblem` code path since it was not needed and it made algorithm support for `run_simulation` unnecesarly complicated (see #26). Also, the `ODEProblem` code did not support...
The current `run_simulation` interface is used to create and solve the appropriate ODE/SDE problem based on the thermostat algorithm. https://github.com/SciML/NBodySimulator.jl/blob/172b046d8f3cfd0737df294fb54481b0bc95e754/src/nbody_simulation_result.jl#L284-L290 It internally calls `calculate_simulation` for ODEs, which uses dispatch on...
@dextorious , have a look at this figures for SI and OpenMM units usage. I tested simulation of 216 particles of liquid argon for 15 ps with timestep at 0.5...
