Fitting GAP from NOMAD (Oasis)
I would like to add our MPI parallel gap_fit
(Gaussian Approximation Potential) to the analysis options of NOMAD. I will probably start in our local Oasis at Warwick.
What do I have to do for that?
ToDo
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Notebook -
Query -
Process -
Run on Cluster -
Determine job config
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Upload
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