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This code measure some geometric features for an overall database. It enables the assessment of a multitude of geometric characteristics of the frameworks, and it reads CIF files of the periodic structures with P1 space group and SiO2 compositions.

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salrodgom/zeolite-analyser

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Zeolite-analyser code

This code measure some geometric features for an overall database. It enables the assessment of a multitude of geometric characteristics of the frameworks, and it reads CIF files of the periodic structures with P1 space group and SiO2 compositions. It is a new version of the https://github.com/salrodgom/GeoZeoForCIFFileDatabase code. Some new functionalities have been added.

Compilation

cd src
make

to clean:
make clean

Citation

SRG. Balestra, N. Rodríguez-Sánchez, D.Mena-Torres, AR. Ruiz-Salvador, Structural Features and Zeolite Stability: A Linearized Equation Approach, Cryst. Growth Des. , Feb., 2024, 10.1021/acs.cgd.3c00893

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This code measure some geometric features for an overall database. It enables the assessment of a multitude of geometric characteristics of the frameworks, and it reads CIF files of the periodic structures with P1 space group and SiO2 compositions.

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