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Mathematica package of Visualization Tools to Classify 2D Ordering

Home Page: https://www.nature.com/articles/s41598-017-18894-7

License: GNU General Public License v3.0

Mathematica 100.00%
bond-order-parameters density-estimation nearest-neighbors periodic-boundary-conditions radial-distribution-function visualization-tools voronoi-tessellation angular-distribution hexagonal-tiling intermolecular-ordering

dislocate's Introduction

disLocate

Mathematica package of Visualization Tools to Classify 2D Ordering.

dislocate-vis-tools-example

Tools include: Pair Correlation Functions, Bond Order Parameter, Voronoi Tessellation, Hexatic Density Deviation, Nearest Neighbour Statistics, Angular Classification of Coordination Neighbours.

Planar distributions can be returned with various types of colour mappings to any of the above parameters.

Boundaries of the analysis area can be set to: Periodic, Ignore objects on the Edge, and Confine using Image Charges.

Source code from the paper: disLocate: tools to rapidly quantify local intermolecular structure to assess two-dimensional order in self-assembled systems

Install the Mathematica disLocate.m package and you're good to go. Call initialization with:

<<disLocate`

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