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Please help me how to sort by energy
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### Discussed in https://github.com/luancarvalhomartins/PyAutoFEP/discussions/18
Originally posted by **luancarvalhomartins** November 12, 2021
### PyAutoFEP discussions are now active
Thanks…
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Along with [ANSI escape sequences for display](https://github.com/WebAssembly/WASI/issues/162), we should also consider escape sequences for input, so that arrow keys, function keys, page-up/page-down…
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**Describe the bug**
When I use xtb to compute Fukui functions, I seem to be getting weirdly different values when I use version 6.4.1 and version 6.5.1. For example, for benzene, with version 6.5.1…
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Dear developers,
My name is Max and I`m working on simulation X-ray radiation in dense laser plasma. I found that solid-state plasma actively emits synchrotron radiation without any external fields.…
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If the DB is re-factorised any way, we may think about to ditch the accession code restrictions? Of course, we need some conventions such as the first 3 letters or so for the institution. But who care…
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Hello everyone,
I am trying to fit a potential to describe phase transitions in one of the inorganic perovskites. However, I am getting weird discontinuities in the potential. What can be the cause…
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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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Hi! I was wondering how can I set up a layered target from the python side.
I've looked at the example input for the layered target, but it's difficult to see how to set it up in python.
Thanks!
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The current version of the workshop after a fresh checkout has ~6.1 GB of data.
```
(base) julien@julien-QEMU-Virtual-Machine:~/Desktop/bssccpbiosim2022$ du -sch *
5.7G absolute_binding_free_e…