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Dear Zhaoming,
Thanks for your kind answer in my last issue, and many thanks to this useful code.
I have one question. I need do a neb calculation for activation energy in hydrogenation of CO at…
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![image](https://user-images.githubusercontent.com/43864599/94722953-06a43f00-0326-11eb-9048-bdfce82725a9.png)
Could you explain why the top of the sum on the LHS is m?
Thanks!
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Currently the `Project.energy_losses` method incorrectly calculates the losses, and should replicate the ORCA model.
Steps to completion:
- [x] Change the `Project.loss_ratio` to `Project.environm…
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+ Study the slides (30 mins)
- [Journal: Pendahuluan](https://zenodo.org/records/7103265)
- [Example: Machine Learning for species identification](https://osf.io/6fsy9)
+ Attend the lecture. (1…
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[AIMNet2](https://chemrxiv.org/engage/chemrxiv/article-details/662fbc9491aefa6ce1bebb89) and [OrbNet Denali](https://arxiv.org/abs/2107.00299) are both machine-learned interactomic potentials that can…
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I have a Flare++ generated LAMMPS potential with the following header:
```
DATE: Thu Sep 15 08:15:18 2022 CONTRIBUTOR: Martin Siron
2
chebyshev
2 15 3 1730730
quadratic
7.00 7.00 7.00 7.00
-3…
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# `.coordinates`
- [x] cartesian_to_poincare_polar (https://github.com/GalacticDynamics/coordinax/pull/136)
- [ ] make_greatcircle_cls (will be done in coordinax)
- [ ] pole_from_endpoints (will…
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Hello,
I am attempting to create a GAP potential for silicon and carbon. I have installed the QUIP library with the architecture linux_x86_64_gfortran. For the training of the GAP I am using the fo…
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When comparing Ring of Way Too Much Energy and Ring of Utility, the optimizer predicted that the latter resulted in a higher energy NGU speed. I was able to falsify this prediction by manually compari…
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Rename in the methodology section of the website:
1. "Clean Cooking Potential" index to "Energy Access Potential" index
2. "Clean Cooking" index to "Energy Access Potential" index
3. "Finance …