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LammpsExample2__TD_887699523131_000

Title
A single sentence description.
LammpsExample2: energy-volume curve for monoatomic cubic lattice
Description This example Test Driver illustrates the use of LAMMPS in the openkim-pipeline
to compute an energy-volume curve (more specifically, a cohesive energy-lattice
constant curve) for a given cubic lattice (fcc, bcc, sc, diamond) of a single given
species. The curve is computed for lattice constants ranging from a_min to a_max,
with most samples being about a_0 (a_min, a_max, and a_0 are specified via stdin.
a_0 is typically approximately equal to the equilibrium lattice constant.). The precise
scaling of sample points going from a_min to a_0 and from a_0 to a_max is specified
by two separate parameters passed from stdin. Please see README.txt for further
details.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TD_887699523131_000
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.
LammpsExample2__TD_887699523131_000
Citable Link https://openkim.org/cite/TD_887699523131_000
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.5
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
96.41% Shell
3.59% Python

Tests using this Test Driver



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