Author Topic: BarrierCrossing examples?  (Read 2134 times)


  • Newbie
  • *
  • Posts: 2
    • View Profile
BarrierCrossing examples?
« on: April 26, 2018, 12:40:38 AM »
Hi Prof. Dubbeldam,

I'm trying to use TST to model the diffusion of adsorbate in MOFs and in RASPA manual I found that there's a simulation type called "SimulationType BarrierCrossing". However, there doesn't seem to be an example of that. Could you provide an example input? Thanks!


David Dubbeldam

  • Full Member
  • ***
  • Posts: 230
    • View Profile
Re: BarrierCrossing examples?
« Reply #1 on: May 08, 2018, 01:38:05 PM »
There is a new example added to the last version (v2.0.31): examples/Advanced/dcTST-LTA_SI.
See also the updated raspa.pdf in: Docs.