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I found in the doc this is no example for a keyword with pyscf, I wang to use the pbe0(D3)/x2c-TZVPall with sfx2c1e methond in pyscf to optimize structure, how can I create a yaml file?
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A suggestion is to define the scope for the new OAuth chapter like this (where the first section of the chapter i Control Objective and the last is OAuth2 References. Note that this assumes a new OIDC…
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All basis sets in Crystal format now for some reason miss electrons on orbitals
For example (H atom):
1 3
0 0 3 **0 (Here should be 1.0 instead of 0!!!)** 1.0
0.1873113696D+02 0.33…
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### Bug
Hello dear Dolibarrians,
we use CHF (Swiss francs) as the main currency for our Dolibarr 19.0.0 instance. We also use the "Multiple currencies" module. This automatically creates 1 CHF = 1…
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I am running the bot for futures in binance and after some time I get the next error:
```
python3.9 main.py --account binanceaccount1 --exchange binance --pair BTCUSDT --strategy Rci
2024-07-30 21:…
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This is a known bug that I have not fixed. I believe it's due to settling margin trades which causes them to be reported twice.
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Discovered yet again when trying to reproduce an issue reported on the forums. When I defined a custom basis set but forgot to include the final quadruple asterisk, the error message appeared when I a…
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https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/mrc.5166
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I remember this was supposed to be useful to the Avogadro integration somehow.
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First, the aug-cc-pV(D+d)Z on EMSL basis set exchange has fewer contraction coefficients in MOLPRO format than in ACESII format. [GENBAS](https://github.com/ndattani/AI_ENERGIES/blob/master/GENBAS) ha…