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CHANGELOG.md

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NQCDynamics.jl changelog

Version v0.13.0

  • enhancement Added BCME method #290
  • enhancement Added CME method #290
  • enhancement Added Ehrenfest for Newns-Anderson models #290
  • BREAKING New default algorithm for Ehrenfest #290
  • Fix Improved probability estimate for IESH #290
  • Maintenance Removed DiabaticIESH #290

Version v0.12.1

  • enhancement Added Independent Electron Surface Hopping Method #287

Version v0.12.0

  • BREAKING Merged run_trajectory and run_ensemble into run_dynamics #286
  • BREAKING Output from run_dynamics is a Dictionary from Dictionaries.jl #286
  • enhancement FileReduction(filename) allows for output to be stored in HDF5 format #286

Version v0.11.0

  • Maintenance Moved NonadiabaticDistributions to NQCDistributions.jl #275
  • BREAKING BoltzmannVelocityDistribution renamed to VelocityBoltzmann #275
  • BREAKING SingleState, ElectronicPopulation renamed to PureState, MixedState #275
  • enhancement Created changelog!