ChemEnv: a fast and robust coordination environment identification tool

Waroquiers, D.; George, J.; Horton, M.; Schenk, S.; Persson, K.A.; Rignanese, G.-M.; Gonze, X.; Hautier, G.

doi:10.1107/S2052520620007994

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 20
Organization of the ChemEnv package. Directories are indicated in black and surrounded by a rectangle. Files are indicated in typewriter (blue for python files, purple for other files). The most important python objects are indicated in italic (green). See text for more information.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 4| August 2020| Pages 683-695

https://doi.org/10.1107/S2052520620007994

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