narupatools.ase.constraints¶

Code relating to ASE constraints, which can modify an ASE atoms object.

Modules

`narupatools.ase.constraints.constraint`	Protocols to act as base classes for ASE constraints.
`narupatools.ase.constraints.imd_constraint`	An ASE constraint that applies an interactive force.
`narupatools.ase.constraints.observer`	An ASE constraint that triggers events when things change.

narupatools