Difference between revisions of "XCrySDen"
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(Created page with "Category:Software {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|XCrySDen}} |{{#vardefine:url|http://www.xcrysden.org}} <!--CONFIGURATION: OPTIONAL (|1}} means it's ON...") |
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| − | [[Category:Software]] | + | [[Category:Software]][[Category:Material Science]] |
{|<!--CONFIGURATION: REQUIRED--> | {|<!--CONFIGURATION: REQUIRED--> | ||
|{{#vardefine:app|XCrySDen}} | |{{#vardefine:app|XCrySDen}} | ||
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<!--Modules--> | <!--Modules--> | ||
| − | == | + | ==Environment Modules== |
| − | + | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | |
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==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN : executable program directory |
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<!--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: | ||
| − | + | A. Kokalj, Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale, Comp. Mater. Sci., 2003, 28, 155--168. | |
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|}} | |}} | ||
<!--Installation--> | <!--Installation--> | ||
Latest revision as of 17:47, 22 August 2022
Description
XCrySDen is a crystalline and molecular structure visualization program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated.
Environment Modules
Run module spider XCrySDen to find out what environment modules are available for this application.
System Variables
- HPC_XCRYSDEN_DIR - installation directory
- HPC_XCRYSDEN_BIN : executable program directory
Citation
If you publish research that uses XCrySDen you have to cite it as follows:
A. Kokalj, Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale, Comp. Mater. Sci., 2003, 28, 155--168.