Difference between revisions of "Zeo++"

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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.
 
 
<!--Description-->
 
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{{#if: {{#var: http://www.maciejharanczyk.info/Zeopp/about.html}}|
 
{{#if: {{#var: http://www.maciejharanczyk.info/Zeopp/about.html}}|
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{{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
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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:
  
{{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
+
*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
  
DESCRIPTION
+
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.
  
 
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==System Variables==
 
==System Variables==
 
* HPC_ZEO_DIR - installation directory
 
* HPC_ZEO_DIR - installation directory
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* HPC_ZEO_BIN - executable directory
 
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{{#if: {{#var: conf}}|==Configuration==
 
{{#if: {{#var: conf}}|==Configuration==
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[http://www.sciencedirect.com/science/article/pii/S1387181111003738 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.]
 
[http://www.sciencedirect.com/science/article/pii/S1387181111003738 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.]
  
 +
[http://pubs.acs.org/doi/full/10.1021/ci200386x 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.]
 
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Latest revision as of 19:06, 1 February 2016


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.