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Codes and Tutorials

  1. RIT/
  2. Poornima Research Group/
  3. Codes and Tutorials

Codes utilized to generate data for peer-reviewed publications from the group are available. Please click on the links to navigate.

  1. Python code to generate input scripts for LAMMPS to run a single component triblock copolymer. 
  2. Python code to generate input scripts for LAMMPS to run a two-component mixture of ABC-type triblock copolymer with A-type homopolymer.
  3. Postprocessing Python toolbox for voxel computation, end-to-end distance calculation, and structure factor calculation.
  4. Python input parameters for postprocessing.

 

  1. LAMMPS input script.
  2. Data file with initial positions for 100-mer.
  3. Python toolbox for generic postprocessing.
  4. Python script to compute bond correlation vector (tangent function).
  5. Python script to compute pitch and persistence length.
  6. Python script to compute helicity.
  7. Python script to compute end-to-end distance.
  8. Python script to compute radius of gyration.

Please navigate to our git repository folder here.

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77 Lomb Memorial Drive
Rochester, NY 14623

Poornima Research Group


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