Difference between revisions of "ZEO++"
Jump to navigation
Jump to search
| (One intermediate revision by one other user not shown) | |||
| Line 10: | Line 10: | ||
|{{#vardefine:testing|}} <!--PROFILING--> | |{{#vardefine:testing|}} <!--PROFILING--> | ||
|{{#vardefine:faq|}} <!--FAQ--> | |{{#vardefine:faq|}} <!--FAQ--> | ||
| − | |{{#vardefine:citation|}} <!--CITATION--> | + | |{{#vardefine:citation|1}} <!--CITATION--> |
|{{#vardefine:installation|}} <!--INSTALLATION--> | |{{#vardefine:installation|}} <!--INSTALLATION--> | ||
|} | |} | ||
| Line 18: | Line 18: | ||
{{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: | + | 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 | 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 | ||
| Line 30: | Line 39: | ||
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_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - executable directory |
<!--Configuration--> | <!--Configuration--> | ||
| Line 66: | Line 75: | ||
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: | ||
| − | + | [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.] | ||
|}} | |}} | ||
Latest revision as of 19:47, 27 May 2022
Description
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: