pele.systems.BaseSystem.get_orthogonalize_to_zero_eigenvectors

BaseSystem.get_orthogonalize_to_zero_eigenvectors()

return None or a function which makes a vector orthogonal to the known zero eigenvectors

Returns :

orthogopt : None, or a function with the form:

vec_new = orthogVec(vec, coords)

See also

pele.transition_states

Notes

zero eigenvectors are those which have zero eigenvalues