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SHAnC

SHAnC (Silica Helices Analysis & Construction) is a collection of scripts used to Construct and Analyze Silica Helices.

Getting Started

  • Construction : the scripts that are used to create an helix or a twisted ribbon

    • distorsion.py : create helices and ribbons
    • read_write.py : read and write files
    • script_analysis.py : analysis (rdf, saturation ...) of structures
    • script_cycles.py : cycle analysis of structures (WIP)
  • Torsion : the scripts are used to twist the cuboids to the proper shape. This method should not be used, but is kept here just in case.

    • distorsion.py : old version of the script in construction that should be compatible with the other script
    • script_launch.py : script to create the systems and input file for the simulations

Depedencies

numpy
scipy
matplotlib
pyvista
lammps (optional, for torsion only)

Contact

Email : Rg mate-pr

Metadata

Release files for SHAnC 0.0.1

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Source distribution for SHAnC 0.0.1
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shanc-0.0.1.tar.gz 10.2 MB With provenance Details for shanc-0.0.1.tar.gz

Built distribution (wheel)

Table of built distributions (wheels) for SHAnC 0.0.1
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shanc-0.0.1-py3-none-any.whl Python 3 none any Details for shanc-0.0.1-py3-none-any.whl

Total release size: 20.4 MB

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Release files / shanc-0.0.1-py3-none-any.whl

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Size 10.3 MB
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Security for SHAnC 0.0.1

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