Make `MIN_DIST` as an input parameter

empa-scientific-it / cleedpy

MIT License

1 stars 0 forks source link

Make `MIN_DIST` as an input parameter #51

Open yakutovicha opened 3 months ago

yakutovicha commented 3 months ago

Currently, MIN_DIST is a constant that is hardcoded to 1.9. It would be better to make it an input parameter so users can adjust it for their needs. The current value is in Bohr, but the input parameter should be in Anstroem.