| Title
A single sentence description.
|
Driver for PANNA v1.0.0 neural network potentials v000 |
|---|---|
| Description |
Driver for Neural network potentials generated with PANNA v1.0.0. This version of the model driver supports the following features for fully-connected feedforward deep neural networks: -A modified version of Behler Parrinello descriptors -Gaussian, ReLU and linear activations. For more information on potential generation with PANNA, visit https://gitlab.com/PANNAdevs/panna |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Emine Kucukbenli |
| Maintainer |
Emine Kucukbenli |
| Developer | Emine Kucukbenli |
| Published on KIM | 2019 |
| How to Cite |
This Model Driver originally published in [1] is archived in OpenKIM [2-4]. [1] Available from: https://gitlab.com/PANNAdevs/panna [2] Kucukbenli E. Driver for PANNA v1.0.0 neural network potentials v000. OpenKIM; 2019. doi:10.25950/cf495c5a [3] 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 [4] 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.
| MD_805652781592_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.
| PANNA__MD_805652781592_000 |
| DOI |
10.25950/cf495c5a https://doi.org/10.25950/cf495c5a https://commons.datacite.org/doi.org/10.25950/cf495c5a |
| KIM Item Type | Model Driver |
| KIM API Version | 2.0 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% C++ |
| PANNA__MD_805652781592_000.txz | Tar+XZ | Linux and OS X archive |
| PANNA__MD_805652781592_000.zip | Zip | Windows archive |