pymatgen
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Proposed change to waveder
https://github.com/materialsproject/pymatgen/blob/722ea4648bbcd9e792991e51365fed5b78eba3f4/pymatgen/io/vasp/outputs.py#L5509
Currently, there are two Waveder objects basically accomplish the same thing be just have two different constructor methods.
They also cannot be serialized since their __init__
requires the filename.
Proposed change:
- Combine the two objects into one
Waveder
dataclass object with thecder
data. - Change the two different constructors
from_waveder
andfrom_wavederf
.
Let me know if this messes with anyone's stuff (especially the original author @migueldiascosta) and I will PR.
Best
I support this proposal. Pls implement and submit a PR. Thanks.