Public bug reported: A new release of NWChem 6.8 is out. When will it be available on Ubuntu?
Please have a look at the NWChem web page, they included some patches that fixes geometry optimization issue. Here is the link for the web page. http://www.nwchem- sw.org/index.php/Special:AWCforum/st/id1944/NWChem_6.6%3A_bug_in_geometry_opti....html http://192.101.105.206/index.php/Special:AWCforum/st/id1950/Bug_in_Raman_code.html I do know about the second bug, but I am getting troubles with the first one, I was unable to do any geometry optimization, for instance, water molecule. Even after 900 cycles, still no use. Thanks. KRISH ** Affects: nwchem (Ubuntu) Importance: Undecided Status: New -- You received this bug notification because you are a member of Ubuntu Bugs, which is subscribed to Ubuntu. https://bugs.launchpad.net/bugs/1733766 Title: Geometry optimization To manage notifications about this bug go to: https://bugs.launchpad.net/ubuntu/+source/nwchem/+bug/1733766/+subscriptions -- ubuntu-bugs mailing list ubuntu-bugs@lists.ubuntu.com https://lists.ubuntu.com/mailman/listinfo/ubuntu-bugs
