A single sentence description.
|LammpsExample2: energy-volume curve for monoatomic cubic lattice|
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
|Item Citation||Click here to download a citation in BibTeX format.|
|Short KIM ID
The unique KIM identifier code.
|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.
|KIM Item Type||Test Driver|
Properties as defined in kimspec.edn.
|KIM API Version||1.9.0|
The name of the simulator as defined in kimspec.edn.
The programming languages used in the code and the percentage of the code written in each one.