dipolar correction
Posted: Wed Nov 26, 2008 12:10 pm
Hi,
I want to optimize molecules with dipolar moment, what is the difference between these two criteria :
IDIPOL=X
LDIPOL=.TRUE.
or just IDIPOL=X ?
Thanks for your answers !
I want to optimize molecules with dipolar moment, what is the difference between these two criteria :
IDIPOL=X
LDIPOL=.TRUE.
or just IDIPOL=X ?
Thanks for your answers !