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torbjornbjorkman / cif2cell

Generating geometries for electronic structure calculations from CIF files.
GNU General Public License v3.0
41 stars 23 forks source link

cif2cell can't work in cmd but can work in GitBash #46

Open Dalabomba opened 3 weeks ago

Dalabomba commented 3 weeks ago

Hi! I'm recently using this package to treat with some of my data in cif form. I've installed cif2cell==2.1.0 with pip, but sadly I can't use it in cmd but can surprisingly use it in GitBash.

To be more specific, I can't call cif2cell -h in cmd, but i can in GitBash. And GitBash can also proceed codes like cif2cell Zr3P1.cif -p vasp --vasp-cartesian-positions.

Package information

What's wrong with it? I would be grateful if anyone could help me?

Dalabomba commented 3 weeks ago

btw I'm using Windows 11, not Linux.

dr-geeno commented 3 weeks ago

Hello @Dalabomba ! Unfortunately I am not very familiar with Windows cmd, but my guess would be cmd does not know where cif2cell is. What message you get when you try to run cif2cell -h? Currently I am using Windows, but run cif2cell using WSL (windows subsystem for linux).