Atoms with constraints train as if force = 0

[Jacob Boes]

As of v0.4, forces appear to be read from the atoms object, rather than an attached calculator, if present. The result is an array of forces filtered by constraints on the atoms object i.e. forces on fixed atoms are returned as 0.

Particularly dangerous when training to multiple slabs calculations with a varying number of fixed layers.

[Jacob Boes]

This may be an error in my own branch.

[Jacob Boes]

Closed.