This README.txt file was generated on <20240502> by Benjamin R. Greenvall


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GENERAL INFORMATION
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1. Supplementary code for "Helical close-packing of anisotropic tubes". Please see the associated manuscript for relevant technical details. 



2. Author Information

  First Author Contact Information
        Name: Benjamin R Greenvall	
           Institution: UMass Amherst 
           Address: 120 Governors Drive, Amherst, MA 01003-9263
           Email: ben.greenvall@gmail.com


  Corresponding Author Contact Information
        Name: Gregory M. Grason
           Institution: UMass Amherst
           Address: 120 Governors Drive, Amherst, MA 01003-9263
           Email: grason@mail.pse.umass.edu



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DATA & FILE OVERVIEW
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Directory of Files
   A. Filename: Single_contact_skeleton.nb       
      Short description: Mathematica notebook to demonstrate calculation of distance of closest approach (non local contact) for arbitrary helical radius (R), pitch (P), tilt (α), and anisotropy (ε)        


        
   B. Filename: Sweep_contact.nb       
      Short description: Mathematica notebook; example of a possible extension of Single_contact_skeleton.nb, in which the contact finding algorithm iteratively solves for combinations of R and α at fixed ε. This calculation requires sweep_input_datasets/test_epsilon_sweep_up_aPi_2.wdx as input (you may need to change the local path for this) and produces epsilon_0.25_outputs/alpha_sweep.wdx and epsilon_0.25_outputs/alpha_sweep_patch.wdx


        
   C. Filename: Determine_boundaries.nb
      Short description: Mathematica notebook; analyzes the contact hull. This file reads in the turn turn output produced in (B.) (that is, alpha_sweep_pathch.wdx) and computes the composite contact hull (e.g. minimum P configuration), as well as the packing fraction and capillary-optimezed structure. This code outputs files phicapdata.wdx (the packing fraction) and RCTab.wdx (the confinement statistics).

   D. Filename: epsilon_0.25_outputs/
      Short description: Directory which contains the output files produced by B. And C. Above. 

   E. Filename: sweep_input_datasets/
      Short description: Input datasets to support additional parameter sweeps. See the Mathematica notebook within this directory for context on their application.



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DATA DESCRIPTION FOR: Supplementary code for "Helical close-packing of anisotropic tubes"
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Variables are defined inline within the relevant notebooks.


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METHODOLOGICAL INFORMATION
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Name: Mathematica 
Version: V13 and V14
Product URL: https://www.wolfram.com/mathematica/