| 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. |
| 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 |
| Developer | Daniel S. Karls |
| Published on KIM | 2018 |
| How to Cite |
This Test Driver is archived in OpenKIM [1-3]. [1] Karls DS. LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon [Internet]. OpenKIM; 2018. Available from: https://openkim.org/cite/TD_567444853524_004 [2] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6 [3] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a Click here to download the above citation in BibTeX format. |
| Funding | Not available |
| 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 Type | Test Driver |
| Properties
Properties as defined in kimspec.edn.
| |
| KIM API Version | 1.9.0 |
| 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 |
| LammpsExample__TD_567444853524_004.txz | Tar+XZ | Linux and OS X archive |
| LammpsExample__TD_567444853524_004.zip | Zip | Windows archive |