return a function that structurally aligns two configurations

Returns :

mindist : callable object with the form:

dist, X1new, X2new = mindist(X1, X2)

See also



The mindist object returns returns the best alignment between two configurations, taking into account all global symmetries. X2new might be different from X2, but X1new should be the same as X1.

If you have a simple system with cartesian distances and no symmetries, you can simply return:

return lambda x1, x2: np.linalg.norm(x1-x2), x1, x2

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