| Title
A single sentence description.
|
Force Numerical Derivative Check using Richardson Extrapolation |
|---|---|
| Description | Comparison of the analytical forces obtained from the model with forces computed by numerical differentiation using Richardson extrapolation for a randomly distorted non-periodic face-centered cubic (fcc) cube base structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Ellad B. Tadmor |
| Maintainer |
Ellad B. Tadmor |
| Published on KIM | 2017 |
| How to Cite | Click here to download this citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| VC_710586816390_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.
| ForcesNumerDeriv__VC_710586816390_000 |
| Citable Link | https://openkim.org/cite/VC_710586816390_000 |
| KIM Item Type | Verification Check |
| 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.
| ase |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
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| ForcesNumerDeriv__VC_710586816390_000.txz | Tar+XZ | Linux and OS X archive |
| ForcesNumerDeriv__VC_710586816390_000.zip | Zip | Windows archive |