ZEO++

Description

zeo website  

Zeo++ is a open source software for performing high-throughput geometry-based analysis of porous materials and their voids. The main code provides capabilities to calculate the following:

• Pore diameters
• Surface area and volume
• "Per channel" analysis
• Pore Size Distribution (PSD)
• Hologram representations
• Stochastic ray approaches
• Distance grid calculations
• File format conversion and visualization aids

The structure of the code makes it particularly well-suited to many problems in physics and materials science, where Voronoi cells can be a useful method of analyzing particle packings. The structure of the code makes it particularly well-suited to many problems in physics and materials science, where Voronoi cells can be a useful method of analyzing particle packings.

Environment Modules

Run module spider zeo to find out what environment modules are available for this application.

System Variables

• HPC_ZEO_DIR - installation directory
• HPC_ZEO_BIN - executable directory

Citation

If you publish research that uses zeo you have to cite it as follows:

T.F. Willems, C.H. Rycroft, M. Kazi, J.C. Meza, and M. Haranczyk, Algorithms and tools for high-throughput geometry- based analysis of crystalline porous materials, Microporous and Mesoporous Materials, 149 (2012) 134-141, doi:10.1016/j.micromeso.2011.08.020.

R.L. Martin, B. Smit, and M. Haranczyk, Addressing challenges of identifying geometrically diverse sets of crystalline porous materials, J. Chem. Information and Modelling, doi:10.1021/ci200386x.