Re: Warning!: Second moment of charge for the PM-CAS states


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Posted by Marcin Andrzejak on October 14, 2010 at 09:46:30:

In Reply to: Re: Warning!: Second moment of charge for the PM-CAS states posted by Valera Veryazov on October 12, 2010 at 17:52:17:

Well, from the code line I have checked it seems to me, that the input parser corrects the number of spaces only for the dipole moments ('MLTPL 1'), whereas for higher moments the correction is missing. And indeed, when I used two spaces, everything worked just fine...
Yours
Marcin Andrzejak


: Hi Marcin,
: could you please send me an input, or even better - submit a bug report.
: Your explanation about two spaces looks a bit suspicions since input parser
: removed this spaces anyway...




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if B is 1s22s22p1, what is Li?

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