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ParamGULP: An efficient Python code for obtaining interatomic potential parameters for General Utility Lattice Program

Published in Data Archiving and Networked Services (DANS) • May 6, 2021
NobleIDNI2P89W61R84S14
Authors:
José Diogo L. Dutra

Abstract

General Utility Lattice Program (GULP) is an important software to the scientific community and available free for academic use. GULP allows studying several properties of solid materials since it has implemented an extensive list of interatomic potentials. However, an important step in the atomisti...

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