How to make adsorption density maps using RASPA and iRASPA?
大佬，你会了吗？
First in RASPA do a Monte Carlo simulation with some particles and create the 3D density grid.
Page 172 manual:
ComputeDensityProfile3DVTKGrid yes
WriteDensityProfile3DVTKGridEvery 10000
DensityProfile3DVTKGridPoints 150 150 150
Than it creates files which can you import in iRASPA.
In RASPA3, it will write out a cube-file, which you can also import in iRASPA.