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### Python version
Python 3.12.5
### Pymatgen version
2024.9.17
### Operating system version
Linux Mint V22, windows10 64 bit,
### Current behavior
>>> from pymatgen.ext.matproj …
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I've been trying unsuccessfully to install Feff10 & corvus in a singularity apptainer under Ubuntu 20.04 (as well as on my base system under Ubuntu 22.04) for several days now. In the apptainer, I'm a…
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Line 11 of common.schemas.defects.py imports from pymatgen.analysis.defects, which appears to have been deprecated from the latest version of pymatgen (see for [explanation](https://materialsproject.g…
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Hi,
the `ChemEnvSiteFingerprint.from_preset()` computes the csm for a list of coordination environments (ces) in `cetypes`.
However, some of the ces listed there are not implemented geometries in…
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## 🐛 Bug
## To Reproduce
Steps to reproduce the behavior:
1. Install pymatgen: pip install pymatgen
2. run
```
import deepchem as dc
tasks, datasets, transformers = dc.molnet.load_ba…
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ICOHPLIST.lobster format changed in lobster 5.1.1, which pops out a ValueError when parsing with Analysis.
![Snipaste_2024-10-02_13-53-39](https://github.com/user-attachments/assets/81da82c5-530f-45b…
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The notebooks tests are failing. It looks to me like the latest version of pymatgen has an internal inconsistency. I'm not sure where it's coming into our dependency tree in an unbound way, but in #10…
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### Bug summary
conda create -n dpgen
conda install dpgen or pip install dpgen or other methods
dpgen -h
DeepModeling
------------
Version: 0.12.1
Path: /share/home/202110186979/soft/minic…
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https://github.com/materialsproject/emmet/blob/a917fc1cbec99524498943e39f8546008cf9b2db/emmet-core/emmet/core/vasp/calc_types/enums.py#L9-L20
tagging @esoteric-ephemera @tsmathis
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The `create_directional_kpoints` method crashes when calling pymathen for molecules.
The relevant traceback:
```
pymat = structure.get_pymatgen_structure()
File "/home/bastonero/.conda/envs…