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Potential energy and atomic forces of periodic, non-orthogonal cell of atoms v003
https://doi.org/10.25950/c3dca28e
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Given an extended xyz file corresponding to a non-orthogonal periodic box of atoms, use LAMMPS to compute the total potential energy and atomic forces.
KIM ID:
TD_892847239811_003
Extended KIM ID:
TriclinicPBCEnergyAndForces__TD_892847239811_003
Daniel Karls
Daniel S. Karls
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OpenKIM
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DOI registered
July 23, 2019
via DataCite
Software published 2019 in
Open Knowledgebase of Interatomic Models (OpenKIM)
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