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I would like to fit with GAP the PES of molecules using SOAP. As a test, I am using a glycine molecule (500 training points).
So far, I get high Mean Absolute Errors on the training set (the errors a…
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## Result of todays table meeting
Below you can find the current form of the physics tables (which is going to change).
[models.pdf](https://github.com/callat-qcd/lattedb/files/3454396/models.pdf)…
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**Submitting author:** @ckoerber (Christopher Körber)
**Repository:** https://github.com/callat-qcd/espressodb
**Version:** v1.1.0
**Editor:** @gkthiruvathukal
**Reviewer:** @remram44, @ixjlyons
**Arc…
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I've been unable to install the dev version. My install log looks like this:
```
`devtools::install_github("glmmTMB/glmmTMB/glmmTMB")`
Downloading GitHub repo glmmTMB/glmmTMB@master
√ chec…
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This issue is to discuss how to progress with the ability to handle temperature dependence in OpenMC. I spent many days debating and tinkering with code to see what would be most minimally invasive. …
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The potential functions `Simple_Harmonic_Oscillator()` and `Multivariate_Gaussian()` found in in `potentials.py` do not admit lattice theories.
This was due to an early fundamental misunderstanding o…