| Title
A single sentence description.
|
LammpsExample: cohesive energy and equilibrium lattice constant of fcc Argon |
|---|---|
| Description |
This example Test illustrates the use of LAMMPS in the openkim-pipeline to compute the cohesive energy of fcc Argon using conjugate gradient minimization with an initial guess of 5.3 Angstroms for the equilibrium lattice constant. |
| Species
The supported atomic species.
| Ar |
| 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.
| TE_565333229701_002 |
| 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__TE_565333229701_002 |
| Citable Link | https://openkim.org/cite/TE_565333229701_002 |
| KIM Item Type | Test |
| Driver | LammpsExample__TD_567444853524_002 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 1.6 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
| Previous Version | LammpsExample__TE_565333229701_001 |
| LammpsExample__TE_565333229701_002.txz | Tar+XZ | Linux and OS X archive |
| LammpsExample__TE_565333229701_002.zip | Zip | Windows archive |
This Test requires a Test Driver. Archives for the Test Driver LammpsExample__TD_567444853524_002 appear below.
| LammpsExample__TD_567444853524_002.txz | Tar+XZ | Linux and OS X archive |
| LammpsExample__TD_567444853524_002.zip | Zip | Windows archive |