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A package for automatically analyzing the Electron Localization Function defined on a regular grid.

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ElfAnalyzer

About

ElfAnalyzer is a toolkit for performing topological analysis of the Electron Localization Function defined on a regular grid. It is designed primarily for outputs from pseudopotential codes such as VASP.

It is part of my PhD at UNC Chapel Hill in the Warren Lab with funding from the NSF's GRFP.

About

A package for automatically analyzing the Electron Localization Function defined on a regular grid.

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