ICOHPLIST.lobster format changed in lobster 5.1.1

[yumaoDFT]

ICOHPLIST.lobster format changed in lobster 5.1.1, which pops out a ValueError when parsing with Analysis.

I checked the ICOHPLIST.lobster; it now has spin 1 and spin 2 values on the same row. Previously, spin 1 and spin 2 are written in different rows.

[JaGeo]

Thank you for reporting this. We are working on this. We currently have a PR open in pymatgen and hope to close it in the next days.

See materialsproject/pymatgen#4065

[naik-aakash]

Hi @yumaoDFT, the changes necessary in the code to make it work with new versions of LOBSTER are already in place.

Maybe a new release of Pymatgen can take a while. In case you need to be able to use it urgently, uninstall the Pymatgen version you have and then please install the specific branch using the following command:

pip install git+https://github.com/naik-aakash/pymatgen.git@lobster_parsers_update

[yumaoDFT]

Thank you very much!

[JaGeo]

To close this, we should update as soon as a new pymatgen version is out

[JaGeo]

@yumaoDFT there is a new release now with the fixes thanks to @naik-aakash