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HowTo OpenDX
This part of the documentation presents the some features of the R.I.N.G.S. code that allow an advanced visualization of the data using OpenDX

Visualization of the evolution of a quantity during the simulation

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The R.I.N.G.S. code allows the user to visualize in 3D the evolution of some quantities (g(r), S(q), bond angles distribution, dihedral angles distribution) during the simulation

  1. Activate the calculation of the chosen property for each step of the dynamic, or each configuration in the data file(s), in the "options" file
  2. Run the R.I.N.G.S. code
  3. Download the "3DrawDX" OpenDX module
  4. Using OpenDX open the "3DrawDX" module
  5. Browse and open the corresponding "property.dx" file in the directory named "MY_WORKING_DIRECTORY/dx/evol/property.dx"
Last Updated on Sunday, 15 November 2009 13:10 Read more...
 

Visualization of the material / molecule / crystal

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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"
Last Updated on Sunday, 15 November 2009 13:15 Read more...
 

Visualization of the trajectories of the particles of highest MSD

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The R.I.N.G.S. code allows the user to visualize the "trajectories" of the Nth particles of highest Mean Square Displacement.

  1. Activate the calculation of the mean square displacement, the mean square displacement for each single atom, as well as the ouputting of the trajectories in the "options" file
  2. Run the R.I.N.G.S. code
  3. Download the "PathDX" OpenDX module
  4. Using OpenDX open the "PathDX" module
  5. Browse and open the file named "MY_WORKING_DIRECTORY/dx/SYSTEM-path.dx"
Last Updated on Sunday, 15 November 2009 13:44 Read more...
 

Visualization of the positions of the barycenters of the rings

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The R.I.N.G.S. code allows the user to visualize the "trajectories" of the barycenters of the rings:
ie. the position of the barycenters of the rings at each time step in the simulation box.

  1. Activate the outputting of the positions of the barycenters of the rings in the "options" file
  2. Run the R.I.N.G.S. code
  3. Download the "PathDX" OpenDX module
  4. Using OpenDX open the "PathDX" module
  5. Browse and open the file named "MY_WORKING_DIRECTORY/dx/rings-bc-SYSTEM-?-???.dx"

This visualization option is complementary to the visualization of the trajectories of the particles of highest mean square displacement.
Thus for both a single OpenDX module named "PathDX" is used.

Last Updated on Sunday, 15 November 2009 13:32 Read more...
 

Visualization of the strong rings analysis

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The R.I.N.G.S. code allows the user to visualize the strong ring analysis:
ie. the different steps of the algorithm implemented to look for strong rings in a material.

In order to visualize each step of the search of the strong rings in the network a simple procedure has to be followed:

  1. Edit and modify the "extra.f90" file located in the "rings-code/src" directory
  2. Build and install the serial version of the so-modified R.I.N.G.S. code
  3. Activate the primitive and the strong rings analysis in the "options" file and run the modified R.I.N.G.S. code
  4. Edit the file named "MY_ATOM_LABEL-MY_ATOM-s-MY_SIZE.dx" in the "dx/debug" directory
  5. Download the "StrongDX" OpenDX module
  6. Using OpenDX open the "StrongDX" module
  7. Browse and open the file named "MY_WORKING_DIRECTORY/dx/debug/MY_ATOM_LABEL-MY_ATOM-s-MY_SIZE.dx"
Last Updated on Monday, 16 November 2009 18:07 Read more...
 



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