2DMAT v2.0.0 has been released

Release Note

Update from v1.0.1


  • rearranged the structure of samples directories (#33)
  • change TOML python package from toml to tomli (#26)
    • toml is deprecated: we continue a support of this in this version but will drop it in future


  • 🆕 pamc (#30)
    • population annealing monte carlo method
  • exchange
    • becomes able to specify temperatures by inverse temperature beta (#27)
    • becomes able to calculate multiple replicas in one MPI process (#22)
    • becomes able to search the discrete parameter space as mapper and bayes algorithms via MeshData.txt (#21)
      • for MC update, it needs a neighbor list; py2dmat_neighborlist can generate it.
    • a post-processing script,, is absorbed into the main program as a post process (#22)
    • when a replica goes out of bounds, the solver won’t be called (of course, update will be rejected) (#28)
  • 🆕 montecarlo (for developers) (#19)
    • base class for Monte Carlo methods
    • exchange and pamc are based on it
    • Downgrade NumPy.Random to the old API (#18)


  • 🆕 sxrd
  • 🆕 leed
    • Low Energy Electron Diffraction experiments
    • wrapper for SATLEED
  • sim_trhepd_rheed
    • Changed the name of the working directory (#33)
    • Added an option to remove old working directories (#33)