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The parallel keyword argument is renamed to n_threads throughout, allowing an exact number of threads to be specified with the default remaining Threads.nthreads().
Arguments for bonded interactions are made more consistent: HarmonicBond has kb renamed to k and b0 to r0, HarmonicAngle has cth renamed to k and th0 to θ0, and MorseBond has α renamed to a.
An additional type parameter is added to System that records whether it is on the GPU. The is_on_gpu function is added to access this property.
The Interaction abstract type is removed.
The HarmonicPositionRestraint interaction for restraining atomic positions, commonly used during equilibration of biomolecular systems, is added. InteractionList1Atoms and SpecificForce1Atoms are added to allow the definition of interactions that apply a force to one atom. The add_position_restraints function is added to apply position restraints to a System, along with the atom selector functions is_any_atom and is_heavy_atom.
The CosineAngle interaction for the cosine bond angle between three atoms is added.
The FENEBond interaction for the finitely extensible non-linear elastic (FENE) bond between two atoms is added.
The masses function to access the mass of each atom in a System is added.
AndersenThermostat is made differentiable.
DistanceNeighborFinder and TreeNeighborFinder now use FLoops.jl and show improved performance on multiple threads.