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Scaling constraint defaults often lead to unstable results (e.g. trying to scale a transition-state with a gas-phase energy). The code needs a more consistent way of accepting various scaling strategies, along with better error-checking to warn users when they are doing something that is likely to be unphysical.
The text was updated successfully, but these errors were encountered:
Scaling constraint defaults often lead to unstable results (e.g. trying to scale a transition-state with a gas-phase energy). The code needs a more consistent way of accepting various scaling strategies, along with better error-checking to warn users when they are doing something that is likely to be unphysical.
The text was updated successfully, but these errors were encountered: