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In the case with a restricted Hartree-Fock (RHF) wavefunction, the up and down spins have the same set of MO coefficients (and the same rotation matrix parameters). If the total spin is non-zero, the…
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The best practice for open source software is to include the full text of the license on every file of your project. This [article](http://oss-watch.ac.uk/resources/opensourceyourcode) says it well .…
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_Originally posted by @Styline2 in https://github.com/Styline2/graduation/commit/2086adf43a9ed326af875bcef6f26052734e4031#commitcomment-31375666_
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the `smem_start` in `fb_fix_screeninfo` is `unsigned long` type, you should use `%lu` instead `%d` in `printf` for `unsigned long`. Don't you notice the value of `smem_start` in your output is a negat…
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[Ztoee_eff_pt.pdf](https://github.com/dally96/DisplacedTauAnalysis/files/13706461/Ztoee_eff_pt.pdf)
[Ztoee_eff_eta.pdf](https://github.com/dally96/DisplacedTauAnalysis/files/13706462/Ztoee_eff_eta.pd…
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These are large scale parametrizable problem from https://www.mcs.anl.gov/~more//cops/cops3.pdf
- [x] Largest Small Polygon (polygon)
- [x] Distribution of Electrons on a Sphere (elec)
- [x] Shap…
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Hello, everyone,
How to set up a vortex electron beam in the injector block?
I can‘t find vortex about orbital angular momentum in the Users Manual of EPOCH. The following is a example about injec…
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Based on observed failures in #2692 that went away when I avoided actually sorting the particles every step, I decided to run the tests with sorting enabled to apply every step, and no other changes:
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Neri Oxman - Lex Fridman Podcast
https://youtu.be/XbPHojL_61U?si=izqB54TJtw7QDpGn
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Reading https://github.com/cclib/cclib/pull/298, I realized there aren't any conventions that I know of for what cclib does in the case of ROHF calculations. Is this true?
These are results for DVB c…