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Steps to reproduce:
1. widget painted on screen;
1. open Etar and add or delete an event
1. check if widget is updated with the new event / without the deleted event
The widget is updated after …
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After an in-person discussion with @cmordi, I have made a list of items that I would like to see in the near but not immediate future.
1. Add a setting to allow for persistent connection to the spe…
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When running an optimization with geometric (B3LYP, def2-svp, def2-svp-jkfit) the behavior is different depending on the number of threads. With `OMP_NUM_THREADS=16` the first SCF does not converge, b…
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Dear aiida-vasp developpers,
I am working on a workflow that sequentially performs 'VaspRelaxWorchain's. When the max number of ionic steps is reached, the VaspRelaxWorchain is repeated up to input…
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**Bug description**
I am trying to run FASTv8 on a real-time target (dSPACE1006). It consists of differents steps of a building process : (1) compiling the Simulink model, (2) Linking the application…
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@CCampJr : @jat255 and I have been testing our Hyperspy MCR implementation. We noticed that if one or more spectral channels in the dataset contains all zeros then MCR returns empty factors. Is this…
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**Describe the bug**
I'm writing some code that's doing automated exploration of chemical reaction space, using GFN2-xTB to optimise individual product molecules. On occasion, this involves running g…
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**Describe the bug**
I get a 400 error when doing a call using:
{"pv_power_forecast":[3374.8,3245.1,3005.7999999999997,2680.8999999999996,2331.2,1985.1000000000001,1598.6,1236.5,875.1999999999999,…
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**Is your feature request related to a problem? Please describe.**
When running large wasm files like the ones generated by the Go Toolchain (that embed the goruntime), it now takes 5-6 times longer …
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Hi!
By design, to compute energy, both the CR-CC(2,3) and CCT3 methods solve the lambda equations, i.e., the left-hand side eigen-equation and the right-hand side one. Would it be possible to produ…