Running NWChem

Topics related to running NWChem

Forum >> NWChem's corner >> Running NWChem

Announcement's	Replies	Views	Last Action
Bug in Raman code Started By : Sean	0	1304	Feb 2nd 6:45 pm Sean
NWChem 6.6: bug in geometry optimization Started By : Edoapra	0	1321	Jan 28th 2:50 pm Edoapra
Sticky: NWChem 6.6 available for download Started By : Edoapra	0	4749	Oct 20th 4:12 pm Edoapra

Jump to page 1Prev 25

Thread Title	Replies	Views	Last Action
Specifying regions for QMMM calculations Started By : Antimon	1	1318	Jan 7th 1:18 pm Antimon
how to print out the force related to each atom Started By : Dulikai	1	1456	Dec 25th 5:33 pm Dulikai
How do nwchem parallel run on a single machine Started By : Javacfish	3	3586	Dec 1st 2:28 pm Bert
Odd correlation energies for RI-MP2 calculations Started By : Guest -	13	4234	Nov 24th 9:53 am Guest -
charges embedding Started By : Guest -	2	1573	Nov 21st 2:58 pm Guest -
Convergence criteria for geometry optimization with B3LYP Started By : Ram	3	9479	Nov 19th 4:28 pm Ram
Run parallel Started By : Guest -	2	1661	Nov 11th 2:19 am Guest -
An error occured in the Runtime Database Started By : Mnahali	4	5276	Nov 9th 12:05 pm Mnahali
NP grid error Started By : SurfStudent	1	1724	Nov 8th 1:23 pm Bert
A number of the QA tests fail Started By : Guest -	1	1878	Nov 4th 3:09 pm Bert
formaldehyde results Started By : Annaj	2	1764	Nov 2nd 10:14 am Annaj
Endless TCGMSG run Started By : Guest -	2	2099	Oct 28th 4:53 pm Bert
MPI Error Started By : Guest -	1	1693	Oct 18th 10:37 am Guest -

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 25

Who's here now Members 0 Guests 4 Bots/Crawler 5

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