1 Faculty of Science and Technology, Marien Ngouabi University, Brazzaville, Congo. 2 Research Group on Physical, Chemical and Mineralogical Properties of Materials, Brazzaville, Congo. 3 Alpha ...

$$ S(\nu) = \dfrac{2}{k_\text{B} T} \sum_{j = 1}^N \sum_{k = 1}^3 s_j^k (\nu) $$ $c_j^k$ has the units of distance^2 / time^2. The total velocity autocorrelation ...

This has the EAM-X model in python and also a script to write out a LAMMPS potential file (eam/alloy format) as well as a simple test. The python script model_v2.py also does a check on the parameter ...

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Department of Physics, Center for Soft Matter and Biological Physics, and Macromolecules Innovation Institute, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, United ...