Published June 30, 2018
| Version v1.7
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brucefan1983/GPUMD: GPUMD-v1.7
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Description
1) Changed about half of the code from C style to C++ style.
2) Added the homogeneous nonequilibrium molecular dynamics (HNEMD) method for heat transport with many-body potentials [https://arxiv.org/abs/1805.00277]. Currently, we have only implemented this method for the Tersoff and the SW potentials. We will add this method to all the other potentials in the future.
Files
brucefan1983/GPUMD-v1.7.zip
Files
(3.3 MB)
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md5:8b1cb89cb59e45cffcd1db6ef4ab66ee
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Additional details
Related works
- Is supplement to
- https://github.com/brucefan1983/GPUMD/tree/v1.7 (URL)