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Visualization of the material / molecule / crystal

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Visualization of the material / molecule / crystal
Visualization of the tetrahedra
Visualization of the free volumes
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The R.I.N.G.S. code allows the user to visualize the structure studied using OpenDX.

  1. Activate the output of the OpenDX file in the "options" file
  2. Run the R.I.N.G.S. code
  3. Download the "ClonesDX" OpenDX module
  4. Using OpenDX open the "ClonesDX" module
  5. Browse and open the file named "MY_WORKING_DIRECTORY/dx/SYSTEM.dx"

Visualizing the structure using OpenDX

The procedure is illustrated in details in the following example.

  1. Activate the output of the OpenDX file  in the "options" file
    ]$ cd MY_WORKING_DIRECTORY
    ]$ ls -l
    drwxrwxr-x 2 user user-group 4,0K janv. 31 00:33 data
    -rw-r--r-- 1 user user-group 2,0K janv. 31 00:33 my-input
    -rw-r--r-- 1 user user-group 3,1K janv. 31 00:33 options
    ]$ vi options
    ...
    Dxout          .false.        #
    ...
    =>
    ...
    Dxout          .true.        #
    ...
  2. Run the R.I.N.G.S. code ex:
    ]$ rings my-input
  3. Download the "ClonesDX" OpenDX module
  4. Using OpenDX open the "ClonesDX" module
    Please follow the procedure as describe in details for the visualization of the strong ring algorithm
  5. Using the "Main Interface" of the "ClonesDX" module open the file named "MY_WORKING_DIRECTORY/dx/SYSTEM.dx"
  6. Open the "Drawing Settings" dialog box and clic on "enable data visualization"
    Drawing settings
  7. The vizualisation window named "Main Image" then immediately displays the structrue studied.
    In the case of the study of a material using periodic bounday conditions the ClonesDX module allows to visualize the 'Clones' of the atoms linked thru PBC.
    Drawing settings
  8. The 'ClonesDX' module is very powerfull and also allows to visualize the tetrahedra as well as the free volumes in the structure studied, you can also produce advanced animations


Visualization of the tetrahedra
Visualization of the free volumes

 



Last Updated on Sunday, 15 November 2009 13:15  

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