[bug] Python bindings documentation discrepancy in output position units
drobnyjt opened this issue · 0 comments
drobnyjt commented
Description
If you call help(compound_bca_list_py), it states the output positions are in Angstroms. They are not - they are in meters. This should be fixed by changing the output units of compound_bca_list_py to match the documentation - since the inputs are given in atomic units (amu, eV, angstrom, etc.) the outputs should be as well.