JazzForLammps

Brought to you by: murraydaw, obiwang2008, yanggao723

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Last Update: 2014-10-24

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Jazz, a scientific research tool, is a new python wrapper for LAMMPS implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in the package. The anharmonic character of the normal modes is calculated via the Monte Carlo-based moments approximation as is described in Yang Gao and Murray Daw, Modeling and Simulation in Materials Science and Engineering (2014). It is distributed as open-source software.

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2014-08-21

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