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PorosityPlus - new open access code for characte ... (No replies)

amaxiom

6 years ago

amaxiom 6 years ago

The first version of the PorosityPlus package (v1.0) has been released, under the CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence). 

 

The PorosityPlus code can be used to calculate the surface area, volume and pore size distribution (PSD) of particle networks. Particles can be multiscale ranging from atoms (making it possible to characterize continuous porous materials including zeolites and MOFs), to nanoparticles to grains with the assumption that they can be modelled by spheres. Operating on one coordinate geometry or multi-frame "xyz" movies with up to 10 particle (atom) types defined by different pair cutoff distances. The code is ideal for gas adsorption studies.

 

The code is cpu enabled, in serial, and runs on a desktop computer or HPC. The manual and downloads include tutorial examples to familiarize users.

 

Available for download now at: PorosityPlus

 

If you have any questions, please contact the principal developer George Opletal.