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```
I am working with molecular interactions. I want to calculate the difference
electron density in these complexes. For that i need to calculate the Full ED
of (a) Complex, (b) Molecule-1 alone an…
-
```
I am working with molecular interactions. I want to calculate the difference
electron density in these complexes. For that i need to calculate the Full ED
of (a) Complex, (b) Molecule-1 alone an…
-
Moved discussion from #5077.
User @Tissot11 asked the following questions:
> I just want to ask if WarpX also has particle injector available which could be used to simulate astrophysical plasma…
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```
I am working with molecular interactions. I want to calculate the difference
electron density in these complexes. For that i need to calculate the Full ED
of (a) Complex, (b) Molecule-1 alone an…
-
Hello, I would like to ask a question about the plasma density gradient setting
In the input file, I set a **plasma density gradient falling edge**, but in the output file, I don't see this falling e…
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Dear Professor
I'm very sorry to bother you, but I am eager to get an answer from you and sincerely request your help. The following two input files are the original code for me. Without adding any m…
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We can have multiple populations, each with its charge.
But the density used in Ohm and in Electrons is the total ion *particle*density, which is wrong if populations have different charges.
We shou…
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Assume I have the electron density represented as the expansion coefficients under an DF auxiliary basis (which come from machine learning prediction). Although the kinetic energy cannot be evaluated …
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Hi Marco,
Would be great if PV could show electron density maps (as some kind of mesh?). Having such a visualization would make it much more clear how well e.g. ligands fit the experimental data.
Th…