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[Orbkit](http://orbkit.github.io/) makes it pretty east to generate cubes for a variety of properties:
* Orbitals / Electron density (which we can already do)
* 1st and 2nd derivatives
* Laplacia…
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Hello, I am wanting to use the Pukhov solver with dt_multiplier =1.0, but when I have run my input deck, it appears to be giving me a c*dt/dx value of around 0.707 when I run using the following bound…
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We can perform QM/pol-MM calculations using Gaussian for QM part calculation and Tinker for MM part calculation. I just have a doubt:
How does the MM part respond to the QM part for a self-consistent…
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In order to create a representation of a multi-component plasma, we need to have a means of defining a single component. We could do this by creating a class called `Species` to describe the properti…
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We have developed experimental set up to carry out interaction study of pulsed Microwaves ( 3GHz, 3 MWatt, 5 µs) with overdensed pulsed plasma (100 µs). We use normal incidence of microwave with TM mo…
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Isosurface can be determined using slope of the Gaussian shape of the reconstructed electron density in order to follow criterion from ref: https://doi.org/10.1038/s41598-019-53774-2
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core_profiles_2d() functionality has been moved to overloaded function GGDUtils.interp in https://github.com/ProjectTorreyPines/GGDUtils.jl/pull/17
To get the same result as:
```
prof_time_idx = …
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Bertoldi uses a two-dimensional parameter space for classifying the initial stages of evolution of photoevaporated globules.
We would like to estimate which regime the WR globules are in.
Howe…
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**Describe the bug**
When calling the `store_transport_to_hdf` function in `tardis.io.model_reader`, TARDIS attempts to access a non-existent attribute
```
File "/home/149/ub0692/miniconda3/env…
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In the course of a given QM computation multiple properties (particularly one-electron) could be constructed so that a single field may become ambiguous. A good example is a CCSD density computation w…