tfep.app.mixedmaf.check_independent

tfep.app.mixedmaf.check_independent(z_matrix)[source]

Check that rows of the Z-matrix do not depend on the same atoms.

This raises an error if the coordinates of two atoms in the Z-matrix depend on the same set of other atoms and, in particular, have the same bond atom.

This check was implemented in https://github.com/noegroup/bgmol