Difference between revisions of "ZEO++"

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|{{#vardefine:testing|}}      <!--PROFILING-->
 
|{{#vardefine:testing|}}      <!--PROFILING-->
 
|{{#vardefine:faq|}}            <!--FAQ-->
 
|{{#vardefine:faq|}}            <!--FAQ-->
|{{#vardefine:citation|}}      <!--CITATION-->
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|{{#vardefine:citation|1}}      <!--CITATION-->
 
|{{#vardefine:installation|}} <!--INSTALLATION-->
 
|{{#vardefine:installation|}} <!--INSTALLATION-->
 
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{{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
 
{{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
  
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
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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:
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
 
  
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*Pore diameters
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*Surface area and volume
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*"Per channel" analysis
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*Pore Size Distribution (PSD)
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*Hologram representations
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*Stochastic ray approaches
 +
*Distance grid calculations
 +
*File format conversion and visualization aids
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 +
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
 
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
 
physics and materials science, where Voronoi cells can be a useful method of
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Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application.
 
Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application.
 
==System Variables==
 
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory
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* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
* HPC_{{#uppercase:{{#var:app}}}}_BIN - executable directory
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* HPC_{{uc:{{#var:app}}}}_BIN - executable directory
  
 
<!--Configuration-->
 
<!--Configuration-->
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If you publish research that uses {{#var:app}} you have to cite it as follows:
 
If you publish research that uses {{#var:app}} you have to cite it as follows:
  
WRITE_CITATION_HERE
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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.]
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[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 19:47, 27 May 2022

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.