Miro Iliaš

Well, in our works (like this https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.2c02103) we were using revPBE-D3(BJ) for superheavies, but dispersion parameters (in BAND) are copied from the previous homologues. This is not the proper way...

Hello Marcus ( @maburs ), we are doing relativistic electronic structure calculations of SHEs up to Z=120, like Fl, Mc, Ts, Og, UUe, Ubn. For these SHEs there are missing...

Ah, I open the same topic here https://github.com/mir-group/nequip/issues/471 , please fix the Colab tutorial...

Well, my student has the same problem on his notebook, we are trying to fix it. If we find it, we post here. Currently I do not see the /mnt/wslg/...

> yland and X11 not working after I updated the OS in my container to Ubuntu 24.10. Dear @satmandu I have no container, just WSL with Ubuntu24.04, https://github.com/microsoft/WSL/issues/12305#issuecomment-2565900963 , and...

There is hint on how to fix Python source codes, https://gitlab.com/dirac/dirac/-/issues/115#note_2301853792 Cc: @bast

Hello, I have similar problem with WSL Ubuntu 24.04 https://askubuntu.com/questions/1536740/wsl-ubuntu-24-04-display-is-not-working I played around with DISPLAY variable but no way... ~~~ miroi@MiroPhenomII-X6:~/.export DISPLAY=:0.0 miroi@MiroPhenomII-X6:~/.xclock Error: Can't open display: :0.0 miroi@MiroPhenomII-X6:~/.export DISPLAY=localhost:0.0...

Well, I still get combination "alignn-2025.4.1 dgl-0.1.3", instead of having dgl 2.4.0 from "pip install -q dgl -f https://data.dgl.ai/wheels/torch-2.1/repo.html" ~~~ (myenv) miroi@MIRO:~/work/projects/open-collection/theoretical_chemistry/software/alignn-ase/wsl2/.pip install -q dgl -f https://data.dgl.ai/wheels/torch-2.1/repo.html ERROR: pip's dependency...

I have the same question. Please, update the documentation and corresponding tutorials.

you may need libxcb-dev (or -devel) or similar package