TURBOMOLE Modules > Aoforce and Numforce
second derivatives with electrostatic pointcharges
(1/1)
yva82:
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 :)
Navigation
[0] Message Index
Go to full version