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A PLL simulation "10M_PLL_dosc_vco.sch" went amok and consumed all my PCs resources so I was forced to stop the simulation. It used up all 16GB of RAM and wrote a huge multi-GB file to spice4qucs. The…
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I encountered an issue inizialising an iMD-VR session, specifically running a CHARMM simulation serving topology and parameters files, attached here.
[files.zip](https://github.com/user-attachments/f…
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### Bug Description
In warp/sim/integrator_euler.py line 306 there are hard-coded collision checks between triangles that are less than 0.01 apart. When loading a soft deformable mesh that is on mill…
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* UltraNest version: 4.3.2
* Python version: 3.9.16
* Operating System: MacOs 14.4
### Description
I'm currently testing the implementation of UltraNest into `gammapy` the science tools for th…
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I am looking for a way to rewind the integrator to the state it had in a previous time. Specifically, I want to use a continuous callback to monitor some condition. When this condition is satisfied I …
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Hello,
I am trying to run a REST2 simulation to fold/unfold small peptide (chignolin and TrpCage).
It seems that `femto` is more adequate to study protein ligand system, but it looks anyway doable…
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### Problem
Document the One-Click Setup feature for the WSO2 MI VS Code plugin, covering automatic installation, runtime setup, and environment configuration (including JAVA_HOME).
### Proposed…
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Right now, the integrator is chosen globally (via integ_switch).
Specific intregrators contain their own loop over all particles.
This has two weaknesses:
* some common functions like Verlet list upd…
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## Steps to reproduce
1. Deploy `s3-integrator`, `loki-coordinator-k8s`, `mimir-coordinator-k8s`
2. `juju run s3-integrator/leader sync-s3-credentials access-key= secret-key=`
3. `juju config s3-in…
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On the Yambo notes on [overleaf](https://www.overleaf.com/project/66a23dc37e8bf3627299a5b5) i wrote a detailled analysis of what I know of the numerical approaches to the solution of the real-time dyn…