Apply model to different temperature? #1568
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likefallwind
McAlexDudu
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Hi~ I have question that I use VASP calculate AIMD in 600K, and dp train these data. I wonder if I could use the graph.pb to run LAMMPS in other temperature or just the same 600K? why? |
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Answered by
likefallwind
Mar 16, 2022
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Please see this: #1316 If you let dp learn the Model in 600K, your model will only learn situation in 600K(or around 600K). Other temperatures, especially have big difference in 600K, you should train dp again |
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Great，thanks! |
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McAlexDudu
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Please see this: #1316
If you let dp learn the Model in 600K, your model will only learn situation in 600K(or around 600K). Other temperatures, especially have big difference in 600K, you should train dp again