Avoid printing of properties


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Posted by Ignacio Fdez. Galván on October 29, 2010 at 12:16:12:

In a state-average RASSCF calculation, when the electrostatic potential in external points is requested (with EPot in SEWARD), is it possible to have the potential computed only for a single root?

The "problem" is I have several thousands of points where I want to calculate the potential, and a lot of time and disk space is wasted calculating and printing the potential for all the roots I'm not interested in.


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if B is 1s22s22p1, what is Li?

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