Enable a SIESTA function for each of the classes
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zerothi commented
Instead of having the excessive code examples much of it may be reduced to a single SIESTA
function which does everything.
I.e. the examples should be shortened and input into each of the classes such that one may do:
relaxation = flos.LBFGS(...)
-- Pass the siesta table for interaction
-- and retrieve the function that is going to be used
-- to communicate with SIESTA
siesta_comm = relaxation:SIESTA(siesta)
Thus the use of flos
may be greatly eased for those who are willing to use the respectable defaults.
Although this heavily limits the fine-tuning of the method, it will greatly improve usability