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I am trying to deploy to app within App Service Environment(ASE) and I get the below error ;
error: : Could not connect to Kudu
I guess the siteName config in the settings.json is used to form…
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Hello,
I'm trying to use MetalDock with ORCA as the QM engine. However, I ran into "SINGLE POINT NOT CONVERGED - DELETE geom.out" soon after executing the .ini file (also happened with the example_…
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According to this paper ( https://pubs.acs.org/doi/10.1021/acs.jpclett.3c00856 ) it seems that it may be reasonable to disable the D3 contributions arising from cations in some cases. This is impleme…
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### What and Why
The functions in the constraints folder should describe the arguments for the functions.
These files are:
- capacity.jl
- consumer.jl
- conversion.jl
- energy.jl
- hub.jl
- …
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### Background
There is no transition state optimization (or, saddle-point optimization) implementation in ABACUS itself. Although we can use ASE-ABACUS interfaces to use the TS method in ASE or code…
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Hi,
It seems like ase has updated their EspressoProfile. The current implementation in asimtools doesn't work anymore.
The current implementation:
```python
def load_espresso_profile(calc_para…
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**Describe the bug**
`bt_cap_initiator_unicast_audio_stop` has been implemented to release a stream, and when the stream goes into the idle or codec configured state (as per ASCS) then the next strea…
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I'm trying to do parallel N2P2 calculations using the LAMMPS interface with the neural network potential for water.
I've successfully compiled the lammps-nnp interface and am able to run the exampl…
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hola ke ase @artero
oelta
- [x] a task list item
- [ ] list syntax required
- [x] normal
- [ ] incomplete
- [x] complete
trico updated
11 years ago
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Is there any chance to tweak this asset to work with Standard ASE template ?