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reported by: @CloudyLex
```
Title:
Reducing Si population in the ISM by charge exchange collisions with He+: a
quantum modelling of the process
Authors:
Satta, M.; Grassi, T.; Gianturco, F. A.; …
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Hello,
I deactivated LibXC in make.inc ( https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/oncvpsp/servers/devana_nscc_sk/make.inc )
but oncvpsp.x always needs…
miroi updated
5 months ago
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reported by: @CloudyLex
A&A 541, A76 (2012)
Surface chemistry in the interstellar medium�
I. H2 formation by Langmuir-Hinshelwood and Eley-Rideal mechanisms
J. Le Bourlot, F. Le Petit, C. Pinto, E. …
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The reference to 2nd order derivatives in README can be updated:
> Yonghao Gu, Zhenyu Zhu, and Xin Xu. *J. Chem. Theory Comput.* **2021**, *17*, 8, 4860–4871. doi: [10.1021/acs.jctc.1c00457](https://…
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Hi
I am thinking about teaching computational chemistry course with veloxchem package. However, I seem to have trouble trying to install with Google Colab. I wonder if there is any suggestion to do…
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How can I get SESAME library? Hope someone can share with me!
g.webywang@gmail.com
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Hello,
I was wondering if new sequencing artefacts beyond what was described in the Genome Biology paper have been discovered now that Guppy has undergone several iterations since the version used …
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Based on the discussion and what we intend to do, the collection of the specific amount of data matters. The whole idea is to limit the extra fields so that things can stay on one road for the sake of…
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For the paper #147 it would be very beneficial to demonstrate that GromacsWrapper has been used elsewhere, especially in software or work that can be cited.
Please add to this issue any citation fo…
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My timings are looking like this:
full matrix generation: 0.9805660247802734
Once I have this matrix, generating the eigensystem using numpy: 0.08746600151062012
Same, but generating the eigensyste…