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I'm `@**Rein Zustand**` on julialang.zulipchat.com who asked a question there on this topic. See @pkofod 's answer at https://julialang.zulipchat.com/#narrow/stream/274208-helpdesk-.28published.29/top…
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Given that the [tetrahedron method](https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm330) will yield a more accurate total energy in calculations if there is a gap (i.e. except in the case of met…
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Likes Neurosurgeon
the model can be segmented into multiple partitions and then allocated to:
1. distributed edge nodes
A Locally Distributed Mobile Computing Framework for DNN based Android Appl…
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### Dependency
August 14th this issue was closed #1975 (adding a subject line: "Submitting my pitch to Hack for LA"). No one has used this link since the change launched. We will observe this again…
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Can you give a simple example to calculate the dynamic spin structure factor
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Today I noticed my Home Assistant supervisor is complaining about the settings for EMHASS (as shown via 'su logs')
Version: 0.10.6 - 2024-07-14
I have the following, as from the docs:
https://…
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## Prequest
- https://deepmind.com/learning-resources/-introduction-reinforcement-l…
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For small molecules, the UKS density fitting gradient is OK.
There is a problem of UKS density fitting gradient when I compute T1 state of PXZ-DPS. The direct SCF is OK.
import time
import pyscf
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1. EXIF tags etc. can be removed by Python code, see *Removing JPEG metadata (e.g. comments, JFIF, Exif etc.) manually* in info.txt for details. Don't use `jpegtran -copy none`, because it would keep …