1. 13 Feb, 2019 1 commit
  2. 12 Feb, 2019 1 commit
  3. 22 Jun, 2018 2 commits
  4. 21 Jun, 2018 1 commit
  5. 26 Sep, 2017 1 commit
  6. 24 Aug, 2017 1 commit
    • Andreas Singraber's avatar
      Cleaned up 1-D example. · 971b659a
      Andreas Singraber authored
      - Moved toy PES and integrator here from OPS fork.
      - Set up basic structure for testing.
      - Tests for toy PES done.
      971b659a
  7. 23 Aug, 2017 1 commit
    • Andreas Singraber's avatar
      Working 1-D example. · 19423a6b
      Andreas Singraber authored
      - Brownian walker seems to produce (almost) identical results as in the
        paper.
      - Had to implement the OverdampedLangevinIntegrator.
      - Bias function is also supported now.
      19423a6b
  8. 22 Aug, 2017 1 commit
    • Andreas Singraber's avatar
      Almost finished S-shooting analyis. · dd0ed238
      Andreas Singraber authored
      - Per-snapshot and global time correlation function available.
      - Had to add NonCanonicalSequentialEnsemble/Mover to loop over
        snapshots.
      - Last step: how to add a user-defined bias function of a CV?
      dd0ed238
  9. 21 Aug, 2017 1 commit
  10. 18 Aug, 2017 1 commit
  11. 17 Aug, 2017 1 commit
  12. 11 Aug, 2017 1 commit
  13. 22 Apr, 2017 1 commit
    • Andreas Singraber's avatar
      Simulation seems to work. · dfc4c781
      Andreas Singraber authored
      - Maybe the ensembles should be changed to allow also reverse paths B->A
        (more efficient sampling).
      - Forgot to (force) add the IPython notebook in last commit, here it is.
      dfc4c781
  14. 21 Apr, 2017 2 commits