Zeo++

From UFRC
Revision as of 19:06, 1 February 2016 by Sharath1231 (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search


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.


Serial

  • zeo++

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.