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Need to have a UL version of this:
https://github.com/mcremone/decaf/blob/master/analysis/utils/ids.py
thresholds need to be adjusted to satisfy the UL requirements. It requires a lot of boring …
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**Describe the bug**
Removing radical-electrons in a mol works differently between with and without atom-mapping numbers.
**To Reproduce**
```python3
from rdkit import Chem
# Baseline example…
iwyoo updated
2 months ago
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#### Problem description
For TESS QLP lightcurves, I noticed all flux columns, other than the default `flux` and `flux_err`, are not of `Quantity` type. Instead, they are `QColumn` (astropy `Colu…
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Would you be willing to have this added to [F-Droid](https://gitlab.com/fdroid/rfp)? If unfamiliar, [F-Droid](https://f-droid.org/) is a catalogue of FOSS applications for Android.
I cannot tell i…
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Consider the following example:
```c
#include
int main(int argc, char** argv) {
printf("%d %s\n", argc, argv[5]);
}
```
Compile the program with `clang-3.9 -fsanitize=address test.c`…
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Electron: Broken since 16.0.6 (or 16.0.5): https://github.com/NixOS/nixpkgs/commit/e06082eda06ee586de17e0a060e8cd0eddd20c69
- Segfaults at startup (also tested via the not yet packaged version 17.0.0…
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Dear all!
I know that the interface for QE is not currently available but I am trying to circumvent the issue by using a script to generate the EIGENVAL from the nscf output on the stencil grid [1]…
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In manuscript EC12092, Clementi et al. describe a boundary element method at the electrostatic limit to simplify the numerical calculation/analysis for bio-sensing using nanoplasmonics. Due to the con…
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This suggestion comes from an in-person discussion with @LutzHammer, @schmid-iap, and @amimre. I report below some of the points discussed. Feel free to add anything I may have missed.
The current …
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**Description of suspected bug**
I use `structure = diffpy.structure.loadStructure()` to import a CIF. This CIF has Ni3+ sites. I attempt to calculate a set of diffraction patterns for this structure…