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Following an effort to export terreain from an FDS-LS simulation in qgis
> https://github.com/firetools/qgis2fds/issues/92
I moved forward and try to compute the ROS form the simulation using a…
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### **Bug: Energy Conservation Issue in Krebs Cycle Simulation**
#### **Description**
The current Krebs Cycle simulation produces plausible metabolite changes but does not conserve energy correctl…
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At present, the `trajectory.xyz` file written during molecular dynamics simulations contains the positions, forces and energies but no information about the stress tensor.
It would be useful to hav…
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I am using Sire dynamics for replica exchange. In doing so, I need to run short cycles at the `energy_frequency` then swap replicas. However, if I set a `frame_frequency` to larger than my simulation …
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Hello,
I am trying to simulate frequency response of a filter with JoSIM by creating a Gaussian excitation and then doing Fourier analysis on the output. I saw that the S-parameters I calculate don't…
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### **Feature Request: Create a `Tracker` Class for Monitoring Simulation Metrics**
#### **Description**
We need a flexible `Tracker` class that can be inherited by other classes to track specific…
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I realized yesterday that `Calc_dt_1D`, `Calc_dt_2D`, and `Calc_dt_3D` all ignore the dual-energy formalism.
It would probably be more correct to use the internal energy in the regime where kinetic…
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Enhancement Request
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Modify the user-defined plant component to accept a Python Plugin Instance for the `plantInitializationProgramCallingManager` as well as the `plantSimulationProgra…
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## What happened?
This is another subtle issue that differs a bit from the already resolved issue #810 (which create a dip in the reconstructed efficiency). Instead, it results in spike-like structur…