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I was wondering if there are any papers or related resources on how PySCF performs gamma point TDDFT for solids.
It would also be useful if you could let me know about the known limitations/pitfal…
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The license is given below and is certainly not AFL-3.0
cc @conda-forge/core
```
############################################################################
## LICENSE
#####################…
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I'm getting a real low FDR/pVal for GO:0004930, where there is only 1 gene that matches. I'm nervous that either something is wrong or I'm passing in the wrong thing. Or could it be that perhaps the…
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Focusing just on the top result (insulin), which I think illustrates some of the issues:
1. There are seven paths, some of which are correct, but from a user's perspective I don't think it makes se…
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As a {blank} I want to {blank} so that I can {blank}
As a modeler, I want to convert an atomistic homology model to a CG Martini model so that I can build a system for an CG MD simulation
* atom…
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In this issue, [comment with `@njzjz-bot `](https://github.com/njzjz/wenxian/issues/23#issuecomment-2121998880):
```
@njzjz-bot 2312.15492
```
[The GitHub Actions will reply](https://github.co…
njzjz updated
2 months ago
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reported by: @CloudyLex
```
Title:
A new and simple approach to determine the abundance of hydrogen molecules on interstellar ice mantles
Authors:
Hincelin, U.; Chang, Q.; Herbst, E.
Affiliation…
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Trixie should be enabled as a globus endpoint to enable faster file transfers
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- http://chemistry.jhu.edu/directory/david-yarkony/
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**Describe the bug**
I was using the gas phase property outputs to do some manual calculations and noticed that the conductivity value was giving me odd results. In the simplified case (one of Valida…