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Trying to run a fluorine-containing molecule (HF) with wB97X-3c in Psi4 1.9.1 results in the following error:
```sh
psi4.driver.qcdb.exceptions.BasisSetNotFound: BasisSet::construct: Unable to fin…
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Updating to current master and trying to import BSE throws an error
```
$ python add_et.py
Traceback (most recent call last):
File "/usr/lib64/python3.12/importlib/metadata/__init__.py", line 39…
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When I calculate O2 BSE, I get wrong results of GW energy
```
------------
G0W0 results
------------
Molecular orbital E_SCF (eV) Sigc (eV) Sigx-vxc (eV) E_GW (eV)
…
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He_basis = bse.get_basis(name="aug-cc-pvtz", elements=['He'])
bse.manip.extend_dunning_aug(He_basis, level=2)
I got the following error:
"RuntimeError: Smallest exponent is not completely uncontr…
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Hi folks, thank for the nice library! I think I've found a GPL issue in the code that I wanted to check with you:
`basis_set_exchange/writers/molcas_library.py` imports `unidecode` on line 6. Sadly…
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### Feature details
It is very cool that PL ships a Clifford plus T decomposition transform!
However it does seem to struggle in certain cases. An extreme example is:
```
print(qml.draw(qml.tr…
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As the title says. The final error is reminiscent of #783 but in the end quite different in its causes.
```
File "", line 198, in _run_module_as_main
File "", line 88, in _run_code
File "/us…
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Published in [J. Chem. Phys. 158, 014103 (2023)](https://doi.org/10.1063/5.0133026).
I did some preliminary work in [the basis_set_exchange-historical branch](https://github.com/MolSSI-BSE/basis_s…
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With `ENABLE_bse`, BSE tries to install in the wrong place
```
[ 11%] Installing Psi4-detected BLAS/LAPACK
[ 11%] Performing build step for 'bse_external'
-- Install configuration: "Release"
[ 11…
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Hello,
Is there any reason why I should expect a sign discrepancy between values in PySCF (2.6.2) and ORCA (6.0.0) of overlap integral of f+3 and f-3 functions (in def2-tzvp and/or def2-tzvpp basis…