Author Topic: second derivatives with electrostatic pointcharges  (Read 314 times)

yva82

  • Newbie
  • *
  • Posts: 2
  • Karma: +0/-0
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 :)