exalearn / ExaMol / 6084990213

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Fix adiabatic redox energy being larger than vertical (#96)

* Add test case for #95

Shows that the error happens when the relaxation of a charged
state from one method leads to the relaxation of a charged
state for the next method to converge to a conformer that is
higher in energy than the vertical geometry.

* Fix by preferencing geometries from the same method

Will make the adiabatic redox energy more reliable
by decreasing the chance the relaxation of the charged
molecule starts from a problematic structure from an earlier method.

* Ignore error if tmp is not present

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