-
I'm looking for assistance in adding spherical harmonics refinement parameters to a GSAS-II script (python)
I couldn't find spherical harmonics (SH) in the histogram and phase refinement parameters…
-
[OpenMolcas](https://gitlab.com/Molcas/OpenMolcas) can store data like molecular geometry, basis set, orbitals and density matrix in portable HDF5 files (.h5). Unfortunately, the format is not very we…
-
@brandonshensley @seclark @giuspugl the `f1` model we inherited from PySM 2 has sharp features in the template, and causes complications with spherical harmonics transforms.
For example, if we eval…
-
Hi,
I am looking to convert an equally 1° spaced grid with coordinates starting from 0.5 E up to 359.5 E and same thing for the latitude coordinates (89.5 -> -89.5). As by data are not starting form …
-
Hi @certik,
Thank you for maintaining the sympy.
Here is the code where simplify(Znm(3, -1, theta, phi).expand(func=True)) failed to cancel out the imaginary part symbolically.
```
from s…
-
I am trying to run the Shallow Water Equation code. I am getting the following error:
```
Loading train dataloader at resolution (32, 64) with 200 samples and batch-size=4
Traceback (most recent …
-
I just upgraded my laptop to Fedora 41, updating psi4 from 1.3.2 to 1.9.1.
I noticed in my test calculation on the He atom that there's something funky in the log file:
```
=> Libint2 Libint2…
-
Hi, I am trying to analyze the energy at different scales from a set of simulations based on this nice model. So how could I do this on the spherical earth?
I know I could do FFT along the zonal d…
-
scier updated
4 months ago
-
These three instrument types are the more lesser-known instrument types of Beepbox. There are a few ideas that could be implemented to these instrument types to make them better to use.
First, zoom…