Count how many times each method is called #292
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gustavor101
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In #292, we introduced a mechanism to count the number of calls to a method, but mistakenly that PR broke `SpectralABF` and `FUNN`, fixing those here. In addition this makes the analysis for `SpectralABF` match the rest of the methods (it was giving the free energy surfaces with opposite sign to the rest of the methods).
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This adds two new functions `pysages.save` and `pysages.load` that handle serialize+write to and read+deserialize from a file, respectively. If a file was pickled before #292, `pysages.load` tries to workaround the fact that previous sampling method classes didn't contain a `ncalls` field. Closes #298
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This makes sure that each sampling method has a
ncallsfield that counts how many times it'supdatemethod has been called.This should make easier implementing tooling for handling workflows with restarts as we can better find out for how long has a method run.