problem with qm/mm geometry optimisation

You are viewing a single post from the thread title above

Click here for full thread

Clicked A Few Times

Threads 5
Posts 19

1:39:49 AM PDT - Fri, Jul 12th 2013
Hi, I think that the problem is an error of typing in geometry module. In particular the double "p" in "pprint xyz". In the manual there isn't this keyword. So, for me you can try to delete one "p" (to have "print xyz") in your input and see what happen.

Who's here now Members 0 Guests 0 Bots/Crawler 0

AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC