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Paul J. Atzberger

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FENE Dimer : Setup Simulation using the MANGO-SELM interface

NOTE: The GUI approach is in need of further updates with latest version. The current preferred way is to setup models using Jupyter Notebooks, Python interface, or scripts.

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To setup simulations in LAMMPS to using the MANGO-SELM graphical interface load the file:

  • FENE_Dimer.SELM_Builder

Found in "USER-SELM/examples/mango-project_FENE_Dimer/".

The MANGO-SELM interface handles generating all of SELM XML data files and LAMMPS scripts. This is done by pressing the "gear icon" on the top menubar as shown in the following screenshot.

For complete set of files needed to successfully generate the SELM and LAMMPS data files and scripts use the data in the directory "USER-SELM/examples/mango-project_FENE_Dimer/".

The MANGO-SELM graphical interface was developed by Paul J. Atzberger using Java and the Swing application framework. This allows for all parameters and model geometry to be edited. The Jython console window can also be used to setup more complex models and perform other related processing. More documentation on these implemented features will be provided in another tutorial. For more details about the files generated by the graphical interface see the tutorials for * direct scripting for LAMMPS and MANGO-SELM.

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To get the package see downloads page.

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Page last modified on April 15, 2021, at 11:48 pm


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