Reject a structure if any atoms are outside a spherical region
This test is necessary to avoid evaporation in clusters
a class to make sure the cluster doesn’t leave a spherical region of given radius. The center of the spherical region is at the center of mass.
| Parameters : | radius : float |
|---|
Methods
| __call__(enew, coordsnew, **kwargs) | wrapper for accept |
| accept(coords) | perform the test |
| acceptWrapper(eold, enew, coordsold, coordsnew) | wrapper for accept |
| accept_fortran(coords) |