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Let us document some key words for JuliaQuantum projects. Comment below if anything is missing or categorized badly or improper. Features have been implemented should also documented here. Details ca…
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本周不安排具体的话题讨论.
但是希望大家简略地扫扫 Issue 22 的剩余内容以及 Issue 20 / 21.
由于Issue 20 / 21 的可选话题都不是很多,计划合在一起进行调查.
同时也给Issue 22的最后一个未讨论话题留个选择的机会.
调查计划在本次线上讨论之后开始.
关于讨论内容,由于我们目前逆着Issue发布的顺序向前阅读,难免有些过时的东西,
所以鼓励大家在讨论的时…
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From the discussions on Julia-dev, I can see that there have already been some codes for quantum stuffs. It seems to me that all of these codes are just small chunks so that we can easily rewrite and …
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Edit: See below discussion; this issue is now about the specifics of structuring a base quantum repo separate from my own (now called [QuDirac.jl](https://github.com/jrevels/QuDirac.jl)).
Hi all,
I…
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Good day Daniel, I just found in your project amazing python realization of CCSD.
I immediately copied it in my project https://github.com/Konjkov/pyquante2/blob/master/pyquante2/cc/ccsd.py and carefu…
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As reported by laali to pants-devel [here](https://groups.google.com/d/topic/pants-devel/DZKOkgomNxg/discussion), and quoted below:
> Hi,
>
> I am new to pants. I want to use it to package a python …
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I think it's a good time to revisit the topic of using MDTraj for trajectory processing in ForceBalance. The main considerations are how to do this without changing a huge amount of code, and whether…
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I don't write any tests for my code. I know, I'm a bad person.
I would like to learn how to write effective tests and thought maybe there would be other people in the group that would also enjoy a ta…
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Hi,
most of the content on this has been "shamelessly borrowed" from:
https://openwiki.uninett.no/metacenter:reference:noturcpe
As always, in bold you find what is already covered at release v1.0.
#…
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In file included from /Users/drewlewis/software/quantum/mpqc/src/lib/chemistry/qc/mbptr12/mp2r12_energy.cc:938:
/Users/drewlewis/software/quantum/mpqc/src/lib/chemistry/qc/mbptr12/compute_density_diag…