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This is a modification of the mTZVP basis (#151) for the r2SCAN-3c method, as described in
[J. Chem. Phys. 154, 064103 (2021)](https://doi.org/10.1063/5.0040021)
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with v3 and use of plugins for gather... can we just subscribe to x different brokers and get messages from all of them with a single flow?
this probably means that the error recovery needs to cha…
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I appreciate the clarification and additional context. Your work sounds fascinating and ambitious, bridging several deep areas of mathematics and physics. Let's unpack this a bit:
1. Uniform Converg…
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Right now all MAKEFP parameter jobs are stored in one window sequentially. If the user wants to change a keyword or two in these inputs, s/he would need to change those for all fragments manually, whi…
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As discussed during the developers week, we would probably benefit by adding a requirement for metadata when submitting OpenFF jobs to QCArchive. The required metadata could include:
* `dataset.metad…
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Hi all, I am reaching out with a question about the requirements around `PMIx_Fence`.
### Context
For our application, we are looking at the case where processes generate globally unique keys. The…
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Hi,
I'm in the process of debugging a non-Haskell HTTPS issue and have come across a protocol flow that I was previously unaware of. When using client certificates to authenticate to IIS, the initial…
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Just got here and read the readme. Data sourcing is no problem with BTC or any other crypto. We can get it straight from the exchanges for free. Check out the library CCXT.
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# Contribute content
## Contributor/requester
> Contact information about the person contributing/requesting the data. Used for communication purposes.
**Name**: Josh Vita
**Email**: vita…
jvita updated
1 month ago
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I am running some psi4 jobs which involve modifying the parameters DFT_VV10_B and DFT_VV10_C for various benzene dimer configurations. For several dimer configurations and several values of (b,c), I g…