Extend Parallel Leaflet Finder to take Periodic Boundary Conditions into account #72
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orbeckst
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Oct 17, 2018
* fix #47 * NOTE: * follow-up in #72 (add PBC and other improvements) * This is the version of the algorithm published in the IPCP 2018 paper * Setting up parallel leaflet finder * Changed run method * Adding errors in LF and adding test * Adding Scipy and networkx in setup. Changed balltree with ckdtree * Single frame test passes, PEP8 both class and test. * Removing code comments based on PEP8 messages * trajectory level testing and pep8 changes * Changing where the paper is mentioned * Updated Changelog * Continuing PR review resolve * Reduced number of tasks * Removing redundant import * PEP8 corrections * Further PEP8 corrections * Debug, references, increased coverage and PEP8. * Docs added for Leaflet Finder * Addind missing file * Trying to fix linter's messages * Adding my name on AUTHORS, changelog and conf.py
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The implementation of the Parallel version of Leaflet Finder currently does not take into account Periodic Boundary Conditions (PBC). It should be expanded with PBC more information in the discussion under Pull Request #69
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