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## Feature
The binary wheels for macOS on PyPI are currently for x86_64. Please also provide a universal2 wheel (x86_64 and arm64) for use with the (currently experimental) universal2 Python 3.9.1 …
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Hi,
I want to take a density matrix, give it to the DFT.SCF driver to perform **one** cycle of SCF, not the whole run, and then return the Fock matrix. Shown below is the equivalent HF calculation …
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Hello,
I'm attempting to run an absolute binding free energy calculation using GROMACS using the functionality in the Exscientia sandpit. However, the mdp files generated contained the line `couple…
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Hi,
I'm finding a pretty substantial discrepancy for detected photon counts and partial paths between MCXlab and pMCX and was wondering if someone might be able to help me pin down the source. Bel…
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**Submitting author:** @demonico85 (Nicodemo Di Pasquale)
**Repository:** https://github.com/demonico85/cleaving
**Branch with paper.md** (empty if default branch): joss
**Version:** v1.0
**Editor:** …
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This is obviously a big task, but I thought it was worth opening up an issue to discuss.
It would be cool if there was a built in method to calculate and/or aggregate thermodynamic info on bigg react…
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Hi,
another thing I have observed when playing with backup:
The inverter always supplies the SoC based on the value set in `sg_min_soc` and `sg_max_soc`.
Min SoC = 35%; Max SoC = 100%; Then the…
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The node `energy_distribution_greengas` participates in the network_gas calculations:
```ruby
- use = undefined
- energy_balance_group = distribution primary carriers
- output.greengas = 1.0
- gr…
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### 路由地址
```routes
/acs/journal/:id
```
### 完整路由地址
```fullroutes
acs/journal/accacs
acs/journal/jacsat
```
### 相关文档
https://docs.rsshub.app/zh/routes/journal#american-chemistry…
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**Is your feature request related to a problem? Please describe.**
I would like to expose the final electricity price for endusers. Final price that is based on various elements like. Baseprice, Dist…