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This feature is currently unavailable due to the blacklist in https://github.com/pyscf/pyscf/blob/943d39a970a3c30ce6cd73ac3c5bf386155d388e/pyscf/scf/dispersion.py#L52 . It would be useful to have thi…
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In MRCC, there is another definition of parameters of dRPA75-D3(BJ) and SCS-dRPA75-D3(BJ)
dRPA75-D3(BJ):
s6 = 0.375_wp (should be 0.3754_wp according to reference)
a2 = 4.505_wp (should be 4.504…
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the animations in w0_d3 need to be added and fixed. Message Lazzy in Discord for more information.
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## Pre-requisites
* #1
## Background
Liani spoke to the CM and Lizette in spring 2024.
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The animations in w0_d3_MeetingRust need to be added. Message me on discord (Lazzy) for more information.
Xa-el updated
9 hours ago
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**Submitting author:** @awvwgk (Sebastian Ehlert)
**Repository:** https://github.com/dftd3/simple-dftd3
**Branch with paper.md** (empty if default branch): joss
**Version:** v1.1.1
**Editor:** @zhubon…
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### Question
Would it be possible to define our own [d3 scales](https://d3js.org/d3-scale)? I see that the `xScale` and `yScale` properties are omitted in the axis options:
https://githu…
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_A discussion on what modules we need in [d3 v4.0.0](https://github.com/d3)._
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This is the first choice in the C++ interaction and the dialogue right before that.
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This will be implementing the first part of w0_d1 which is the Rust interaction.