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In order to help target developer effort to parts of the code where optimization effort will be most useful, it would be helpful to be able to capture timing information from each `ProtocolUnit`. Righ…
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### Issue Description
expo-background-fetch executes periodic tasks when the react-native app is in background.
Using apollo client to query a graphql api, the query stays in state `loading` as long…
qroac updated
4 months ago
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Stand der Technik in der Modellierung und Simulation sind Einzel-Simulationen (wie sie auch zur Zeit in der Cluster-eigenem Simulations-Framework AIXVIPMAP betrieben werden), mit denen jeweils einzeln…
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I've recently worked with CP2K, and its optimizer is far from being stellar. AFAIU, they use fractional coordinates (XYZ projected onto lattice vectors) which is clearly suboptimal for crystals compos…
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I am missing some documentation on[ Extend DSOPP](https://github.com/RoadlyInc/DSOPP/blob/main/docs/extending_dsopp.md) about how the Energy function is implemented. I think documentation about three …
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I've noticed when doing production runs with MAST that occasionally a keyword will end up having several values in the metadata file when there's only supposed to be one.
As an example, I've seen mul…
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When running optimizations with CCBlade.jl, sometimes the optimizer will figure out a way to manipulate the design such that the `DuSeligEggers` rotation correction will reduce the drag coefficient to…
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Hi,
I have been modelling storage with a load to reduce peaks and shift load according to market prices (no capacity optimization). Doing this i have realized few issues with the storage model:
1…
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Hi,
I was trying to use AIMNET2 to calculate energies and obtain reaction profile. I have used the old model and aimnet2ase.py to calculate energies of a substitution reaction. Recently, I changed …