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This commit switches computePropertiesForPressures() to return a Properties object directly instead of populating an object constructed in the caller. There is just a single call site for this function so there's no benefit to using an out parameter here. While here, also collect the property callbacks into a structure to simplify the function signature. This also enables not filling in the solvent properties unless solvent is active in the run. Update caller accordingly. |
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simulators |