removing constraints after constrained optimization

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Clicked A Few Times
Threads 7
Posts 16
Ok so what I do is grep for the keyword frozen in the output, and thereby confirm that there are no more frozen atoms.


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