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LammpsExample__TD_567444853524_004

Title
A single sentence description.
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
The unique KIM identifier code.
TD_567444853524_004
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
LammpsExample__TD_567444853524_004
Citable Link https://openkim.org/cite/TD_567444853524_004
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
LAMMPS
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Shell
Previous Version LammpsExample__TD_567444853524_003

Tests using this Test Driver

LammpsExample__TE_565333229701_004


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