Problems running isicle under windows 11

[steto123]

Hello Isicle Team,

after solving some problems i have some generally problems.

I have installed Isicle in Ubuntu (WSL2) according to the supplemental material, but a command like isicle --help ist not found. pip install -e . was succesful.

Running the example python script: python collision_cross_section.py in the root directory of isicle stops after crest finished (crest, xtb, nwchem are installed and running, mdpi also). There is no error message.

Any help was verry useful.

Steffen

[smcolby]

Apologies that you are having trouble with ISiCLE. Note that there is currently no command line interface, so isicle --help will not produce any output.

I just tried running the collision_cross_section.py script on my machine, and it appears some of the code is not up to date with the latest changes. I will fix and report back this week.