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Either use pymatgen version if the fix is in their version, or make fix suggested by Daniil in our copy, or suggest to pymatgen to fix:
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One thing I noticed while doing this though, is you can sp…
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Hello,
I believe spacegroup 165 should have a hexagonal rather than a rhombohedral lattice system.
For example, see ICSD Collection Code 3 -- a crystal structure with this spacegroup. Using the lat…
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## System
* Pymatgen version: master
* Python version: 3.6.2
* OS version: Mac
## Summary
* @hautierg @computron Basically, a simple supply of the BSPlotterProjected, especially the get_pro…
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## System
* Pymatgen version: master
* Python version: 2.7
* OS version: mac
## Summary
* See example code
## Example code
```python
from pymatgen.analysis.elasticity.elastic impor…
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## System
* Pymatgen version: v4.7.7
* Python version: 2.7.12
* OS version: Linux Ubuntu 14.04
## Summary
* Trying to parse POTCAR I get:
UnicodeDecodeError: 'utf8' codec can't decode byte…
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When parsing a hybrid band structure using the `Vasprun.get_band_structure()` method with `linemode=True`, the band energies for any k-points that are not zero weighted are ignored.
If the `Vasprun…
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I'm trying to make a (temporarily private) development fork of pymatgen on github to share code with colleagues, but get errors related to `git lfs`:
`[531e5b64ee126c2e0fba128fd0317662f36cbf02f6516…
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## System
- Pymatgen version: "master"
- Python version: 3.5
- OS version: Linux - Ubuntu 16
## Summary
The Zeo++ extension io/zeopp.py has some python2 -> 3 problems regarding str vs. bytes. I did …
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## System
* Pymatgen version: 4.6.0+
* Python version: 2.7
* OS version: linux (nersc mendel)
## Summary
* Gascorrection collapses the energy_per_atom and E^hull to the same value, even…
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## System
* Pymatgen version:
* Python version:
* OS version:
## Summary
There are some issues on the determination of oxide state when running a mpworks workflow.Some cases are fine,wh…