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There are several performance optimizations that could be done for the GUI.
- Matplotlib is slow for real-time rendering. Updating the plot takes ~50-100ms, which is a major bottleneck especially f…
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I'm filing this issue here as it seems likely that the issue originates with the tblite library. If you prefer I file this as a DFTB+ issues let me know and I can report it there.
Using ammonia cr…
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Hello!
Thank you for a nice library.
It looks like the E_max values for major isotopes such as U235 are quite small compared to the maximum energy we encounter in neutronics simulation.
How do I co…
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Hello,
I fixed the label lcao4 to lcao4lda in the example input of Kr atom.
```
title Kr LDA orbitals
method dft
dft lda
nuclei 36.0 0.0 2.0
config 0
1 delta
4 pi
8 sigma end
grid 2…
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Traceback
```python
knl = self.get_optimized_kernel(**kwargs)
sumpy/e2e.py:650: in get_optimized_kernel
knl = self.get_kernel(result_dtype)
sumpy/e2e.py:645: in get_kernel
loop…
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Only occulter mask visible in frames on the web:
Dates Times
20220202 195044
20220310 195208, 200822 (both doppler)
20220311 193315
20220313 194616, in doppler 200551…
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```
There exist ( http://dx.doi.org/10.1175/2009JAS3146.1 ) non-FFT based
version of DDA, which does not use void dipoles. Green's tensor is not
stored, but recomputed at each iteration. This DDA vers…
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- [ ] Far-field plot + polarization options
- [ ] (bug) For multiple spectrum plots wrong conversion of plane wave unit.
- [ ] (bug) GaP_Khmelevskaia - wrong shown range in material explorer?
- [ ]…
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This paper presents a computational workflow combining a fast multipole method library and a Galerkin boundary element method package for solving the Poisson-Boltzmann (PB) equation for large systems …