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Hello,
I have installed the AIMD package in a virtual environment according to the instructions, but running either of the tests fails with the error:
Traceback (most recent call last):
File "/…
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Please consider exercising some well-known control algorithms. I offer a couple and invite others.
- AIMD https://en.wikipedia.org/wiki/Additive_increase/multiplicative_decrease
- CoDel https://en…
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Dear developers,
I parsed my AIMD data with cp2kdata 0.6.4. and found that DeePMD-kit is struggle to train a model with low RMSEs with these data.
Previously, I used the built-in dpdata functions…
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在表面加一层水，跑到6ps的时候出现这种情况，这是不是水分子解离了？
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ASTE is a great tool to analyze the error of a single map operation.
To simulate multiple time windows, we need to generate a complete mesh for every time step. This is not only very space inefficien…
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The aimd/mm part of the pspw code hangs when using openmp.
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### Bug summary
Hello,
I'm trying to convert the cp2k output file to DeepMD input format, but I keep getting an error even though I have turned on Forces, Print, Trajectories, and so on.
…
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Dear developers,
I have a Si slab with varying thickness t_si and whose top and bottom surfaces are passivated by "H" atoms. I need to train an SGP model on AIMD data for it. Training the model on …
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What Functional Gang Huang used? BLYP.
What's the difference between Thomas' and Gang's functional?