Geometry optimization
Bug #1733766 reported by
Krishnamoorthy Arumugam
This bug affects 1 person
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
nwchem (Ubuntu) |
New
|
Undecided
|
Unassigned |
Bug Description
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://
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
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NWChem 7.0.0 is available in Ubuntu 20.04 LTS, does that fix your issues?