Rotation Entropy for non-Abelian point group sym and CC-methods.

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Gets Around

9:28:39 PM PDT - Wed, Jul 15th 2015
Hi, Jeff. Reusing hessian means that no actual TCE calculations were performed in this case, only ZPVE and total entropy were recalculated. Normally "Total CPU times" of such task is less than 1s. Vladimir.