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Author Topic: second derivatives with electrostatic pointcharges  (Read 6359 times)

yva82

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second derivatives with electrostatic pointcharges
« on: January 26, 2021, 04:07:01 PM »
A few years back it wasn't possible to calculate correct second derivatives with the molecule being embedded in a cloud of electrostatic pointcharges.

Is this fixed meanwhile with the newer version of TM?

Thanks a lot for any answer :)
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