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Note that I'm unaffiliated
See https://matbench.materialsproject.org/
> [Matbench](https://doi.org/10.1038/s41524-020-00406-3) is an [ImageNet](http://www.image-net.org/) for materials science; …
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I have been downloading a large amount of GGA/GGA+U entries for binary systems, and something I have noticed is that **all** systems containing 'Yb' as one of the two elements are missing the element …
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@MahamadSalah74 I ran the [matbench notebook](https://github.com/materialsproject/matbench/blob/main/benchmarks/matbench_v0.1_CrabNet/notebook.ipynb) posted on the matbench GitHub page (https://github…
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Hi crystal toolkit developers,
On the new crystal toolkit website (https://next-gen.materialsproject.org/toolkit), it seems that the Apply Transformation functions have no effect on the crystal str…
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#### Problem
For molecular dynamics simulation and machine learning data generation of random structures, one might desire to have a routine that transforms a given disordered structure $S$ to a se…
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Per Material Project team's discussion on Friday Aug. 14, it seems like there's a need to incorporate more info / change default in the Elink records that we send.
For reference,
The current c…
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### Python version
3.12.4
### Pymatgen version
2024.6.10
### Operating system version
Ubuntu-22.04
### Current behavior
I have a POTCAR file written with PBE_54. When I read it into a Potcar ob…
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clang throws the following error during compilation:
```
fdint/_fdint.c:106304:15: error: too few arguments to function call, expected 17, have 15
py_code = __Pyx_PyCode_New(
^…
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Currently `update_launchpad_data` applies only to `["launches", "fireworks", "workflows"]` but omits the `"tasks"` collection. Is this a deliberate decision? Any reason `"tasks"` should not be changed…
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This line is causing some problems for me:
https://github.com/materialsproject/atomate2/blob/a31b86b1e2f4d1a6665be7764c5cc67673904c91/src/atomate2/vasp/jobs/base.py#L149
This seems to indicate tha…