Nigel Hew
Results
2
issues of
Nigel Hew
### Feature Requested From this paper (https://www.sciencedirect.com/science/article/pii/S0927025617302069?via%3Dihub), it looks like enumlib should be able to enumerate unique displacements as well. Can this be implemented in pymatgen? ### Proposed Solution Implement...
enhancement
### 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...
bug