BarrierCrossing examples?

[haoyuan]

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!

Haoyuan

[David Dubbeldam]

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.