tfep.app.mixedmaf

Base LightningModule class to implement TFEP maps.

Functions

check_independent(z_matrix)	Check that rows of the Z-matrix do not depend on the same atoms.
is_collinear(points[, tol])	Check that three points are not collinear.

Classes

MixedMAFMap(potential_energy_func, ...[, ...])

A TFEP map using a masked autoregressive flow in mixed internal and Cartesian coordinates.