Published September 13, 2021
| Version v2.6
Software
Open
brucefan1983/GPUMD: GPUMD-v2.6
Authors/Creators
- 1. Varian Medical Systems Finland Oy
- 2. Stanford University
Description
Major changes:
- Added the Neuroevolution machine learning potentials (NEP) [https://arxiv.org/abs/2107.08119].
- Fixed a bug about the simulation cell. The volume of some simulation cells were calculated to be negative, which can give rise to a "negative thermal conductivity". Otherwise, the dynamics is not affected.
- Future work: we will release GPUMD-v2.7 soon, where the accuracy of the NEP potential for multi-component systems will be significantly improved.
Files
brucefan1983/GPUMD-v2.6.zip
Files
(18.2 MB)
| Name | Size | Download all |
|---|---|---|
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md5:19c036a543089ad58fcc994f3add2592
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18.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/brucefan1983/GPUMD/tree/v2.6 (URL)