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The Voronoi-tessellation-based featurizers all have a minor error rate due to problematic structures failing to tessellate.
As an example, `mp-623782` fails to tessellate due to an error running qh…
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In core.structure module, there is a get_distance feature that looks like
def get_distance(i, j, jimage)
to get the distance of site index i and j with lattice translation of jimage. However, wh…
hmlli updated
6 years ago
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**Describe the bug**
I try to access the unit_cell_formula from Material project. In the beginning, it performance normally. However, sometimes, the error pops out
"('REST query returned with error …
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In the upstream Pymatgen code, there seems to be a change made within the last month or so that causes the VIRE NN algorithm to be many times slower. Need to troubleshoot this issue and report upstrea…
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- [x] materialsproject/mp-jupyter-docker#1
- [x] decouple MPContribs website from `materials_django` (run barebone `webtzite` as in JupyterHub)
- [x] rename alpha -> contribs.materialsproject.org
-…
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- [ ] Download an install Fireworks
https://materialsproject.github.io/fireworks/introduction.html
- [ ] Follow the intruductory tutorial, set up a MongoDB database compatible to the SIRIUS exist…
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## System
* Pymatgen version: Master
## Summary
* Currently the polarization module uses np.matrix, which will be deprecated from py3.8 due to the introduction of the matrix multiplication op…
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Maybe eta = (volume / v0) ** (1. / 3.) should be change to eta = (v0 / volume) ** (1. / 3.)??
In the code below:
`class BirchMurnaghan(EOSBase):
def _func(self, volume, params):
""…
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this structure featurizer returns the following error that is not forgiven by ignore_errors=True. You can reproduce it with the following example. The reason I put it here is that I reproduce it with …
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## Summary
* `GET https://www.materialsproject.org/rest/v2/tasks/` faild with a error
* the error states `NoneType object is not iterable`
## Example code
```python
url = "https://www.mater…