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LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon
Description This example Test Driver illustrates the use of LAMMPS to compute the equilibrium lattice spacing and cohesive energy of fcc argon using Polak-Ribiere conjugate gradient minimization in LAMMPS and an initial guess at the equilibrium lattice spacing supplied by the user through pipeline.stdin.tpl.
Contributor karls
Maintainer karls
Author Daniel Karls
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
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Extended KIM ID
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Citable Link https://openkim.org/cite/TD_567444853524_004
KIM Item TypeTest Driver
Properties as defined in kimspec.edn.
KIM API Version1.9.0
Simulator Name
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Programming Language(s)
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100.00% Shell
Previous Version LammpsExample__TD_567444853524_003

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