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Hi,
I was just trying your latest revision of the code & I have a couple questions.
1. In comparison to the [original released spherical data](https://www.dropbox.com/s/pnzgcitvppmwfuf/lidar_2d.…
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For basis set 6-31G** of H atom, `manip.autoaux_basis` produces two d shells:
```
manip.autoaux_basis(api.get_basis('6-31G**', 'H'))
...
{'function_type': 'gto_spherical',
'region': ''…
sunqm updated
2 months ago
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Right now, we can only calculate integrals over all-Cartesian ShellSets with Libcint. The problem with the initial development of this interface was that Libcint makes a distinction (`_cart` vs `_sph`…
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We should decide on a PHI/THETA convention to use for spherical loudspeaker coordinate systems. There's no particular standard that is currently used. See below for what the CLF format uses (hopefully…
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Dear PHARDI experts,
Thanks for code/software. I have a couple of suggestions to improve upon.
1. I think having ODF as represented as SH coefficients with nice to use it in other software packa…
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Hi,
SceneRF is a nice work and it is very helpful for me.
Currently, I'd like to revise SceneRF and integrate it into my work (I will definitely cite this work). I am meeting a challenge of how …
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We'd like to model a thin surface layer on a star in 2d spherical geometry (r, theta) with phi axisymmetry. Here theta is the angle from the +z axis.
The geometry should look like the attached:
…
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For 2-D problems, the Stokes solver defaults transition from direct to iterative when the geometry is cylindrical (they are iterative by default in 3-D). The energy solver, however, does not make the …
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Hello:
I have a MODEN file generated by MOLPRO in which the MOs are represented in Cartesian AO basis (e.g., 6 basis functions for d orbitals). Although MOLPRO works with a spherical basis but prints…
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The [spherical coordinate system](https://en.wikipedia.org/wiki/Spherical_coordinate_system) gives a different way of writing 3d coordinates, and some more knobs to turn for graphing stuff, e.g using …