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Hi!
Firstly, thanks to the developers for the recent addition of the `pymatgen.io.vasp.optics` module, this is very very useful! 🙌
For large k-point meshes or large numbers of electronic bands, th…
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For some of our simulations, we would need the pulses propagated in the reference frame of the vacuum speed of light instead of the medium group velocity to incorporate the result later in another sim…
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A key missing feature in `BlockSparseArrays`, as mentioned in #1336, is blockwise matrix factorizations. I'm starting an issue here to sketch out an implementation plan for that.
Here is an initial…
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Hi! First, off, thanks for the port to Julia! It is super useful for my research! (:
**Describe the bug**
For a crystal with trigonal spacegroup symmetry, `Spglib` fails to reshape the unit cell t…
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According to my understanding, the little group in nature is the site symmetry group in reciprocal space. On the other hand, the site symmetry group and the Wyckoff position has [the following relati…
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The FFT dipole Hamiltonians do a symmetry check to ensure no equivalent points are missed in the tensor (for example if the spherical cutoff just misses a point on the edge of the sphere). This check …
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Currently to surface a part for consumption the name of the part needs to originate from an HTML attribute:
```html
Click me!
```
Then later, in CSS, the element can be selected as…
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Page: https://chrispiech.github.io/probabilityForComputerScientists/en/part2/normal/
States the following:
>By definition a Normal has $E[X] = \mu$.
In fact this equality requires a proof. T…
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## Improvements
The following are improvements to Ambit that were brought up during the Tensor discussion at Emory with Psi4 developers:
- [ ] Batching blocks/slices to/from disk
- [ ] Memory manager…
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Steps to try to create a FZ with high-symmetry borders:
1. Analytically define cusps and sample cusp points OR sample cusp locations by numerically differentiating BRK function (2nd derivative) and u…