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### System details
RStudio Edition : Desktop
RStudio Version : 2024.04.0+735
OS Version : MacOS Ventura 13.6.6 (m2 Apple Silicon)
R Version : 4.3.2
### Steps …
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#### If you have a proposed geographical area for the Pioneer Array in mind, please tell us why you recommend this location. How will the Pioneer Array advance scientific, educational, and other objec…
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## 一言でいうと
本研究では合成可能な重水素化Alq3エミッターを設計するための量子-古典ハイブリッド計算手法を紹介する。この設計プロセスは、Alq3のアルミニウムに典型的に結合しているトリス(8-ヒドロキシキノリナト)配位子を用いて行われた。
### 論文リンク
https://arxiv.org/abs/2110.14836
### 著者/所属機関
Qi G…
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**Is your feature request related to a problem? Please describe.**
Using LAMMPS can be a bit of a pain.
**Describe the solution you'd like**
OpenMM is a really easy to use, Pythonic MD code that…
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Hi! Great project!
After getting dependencies installed, the download went without errors. But I'm wondering about the result...
https://link.springer.com/search?facet-content-type=%22Book%22&…
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@jpotoff @msoroush
I just wanted to ask some questions about a few of your comments.
> On issue with HS-GCMC is that it is unclear how much efficiency is gained by actually sampling the differen…
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Hello Dr. Olver,
I've been seeking to use ApproxFun to approximate a variety of functions and had a few questions. My functions are expensive to compute, so I need to evaluate them on a fixed number …
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Introduced by @pklausler at https://github.com/j3-fortran/fortran_proposals/issues/40#issuecomment-553587810:
Golang has `var := expr;` which declares `var` to have the type of the value of `expr`,…
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When generating an InChI key for a molecule with incomplete valence (e.g., CH3 radical), `openbabel` always generates the InChI key corresponding to the molecule with additional hydrogens, even with t…
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This ticket proposes the inclusion in SAGE of a new package, dedicated to differential algebra.
**Introduction**
The `DifferentialAlgebra` Sage package is an analogue of the MAPLE 14 `Differential…