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v0.9.0
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@jgreener64 jgreener64 released this 11 Mar 17:35
· 1209 commits to master since this release
v0.9.0
b3420bd
  • The arguments to forces and accelerations are made consistent across implementations.
  • Centre of mass motion is removed by default during simulation using remove_CM_motion!.
  • Coordinates are centred in the simulation box by default during setup.
  • The Langevin integrator and Verlet integrator are added.
  • The MorseBond potential is added.
  • The GB-Neck2 implicit solvent model is added via ImplicitSolventGBN2.
  • The CubicSplineCutoff is added.
  • The rmsd function is added.
  • The AtomsBase.jl interface is made more complete.
  • The progress bar is removed from simulations.
  • The out-of-place neighbor list type NeighborListVec is changed.
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