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Rather than the number I have now, which is purely indicative. I should have a value of the free energy. This likely will have to be negated as a result but that is workable.
This will require some additional thought on #2 for getting reproducible results.
The text was updated successfully, but these errors were encountered:
I believe this has now been fixed in 61200fe, although the values don't correspond particularly well to the simulation values. This is possibly due to the pressure, but I am not entirely sure.
Rather than the number I have now, which is purely indicative. I should have a value of the free energy. This likely will have to be negated as a result but that is workable.
This will require some additional thought on #2 for getting reproducible results.
The text was updated successfully, but these errors were encountered: