General Topics

From NWChem

General topics related to NWChem

Forum >> NWChem's corner >> General Topics

Announcement's	Replies	Views	Last Action
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	1781	Feb 2nd 7:13 pm Bert

Jump to page 1Prev 255Next 25Last

Thread Title	Replies	Views	Last Action
Problem with "Save Preferences" Started By : HUWagner	1	415	Aug 19th 3:14 pm Bert
Dimension msa too small Started By : Guest -	1	360	Aug 19th 3:05 pm Bert
run DFT using ROHF wavefunctions Started By : Guest -	1	429	Aug 18th 6:16 am Niri
Installing ECCE Client Started By : Guest -	1	272	Aug 16th 1:55 pm Bert
ZORA in nwchem Started By : Guest -	1	373	Aug 9th 9:41 am Niri
How/where can I get a pdf copy of the user' manual/programmer's guide for NWChem 6.0 Started By : Guest -	1	736	Aug 2nd 5:03 pm Bert
Excited state calculation Started By : Rand	2	400	Aug 2nd 5:03 pm Niri
eastimaed standard error in QM/MM free energy perturbation method Started By : Guest -	1	429	Aug 2nd 5:02 pm Bert
to generate topology file for qmmm Started By : Guest -	2	489	Aug 2nd 5:01 pm Bert
vdW parameter unit for NWCHEM Started By : Yt82	1	532	Aug 2nd 5:00 pm Bert
nwchem hangs before dft scf Started By : Pvallett	2	298	Aug 2nd 4:52 pm Bert
Ionization potential of Pd using ECP28MDF Started By : Brynetan	4	372	Jul 21st 7:47 pm Brynetan
qmmm free energies Started By : Guest -	3	552	Jul 20th 5:38 pm Marat
what is the unit of "oscillator strength" Started By : Guest -	1	976	Jul 7th 12:16 pm Guest -
"too many files open" error Started By : Matrix2010	1	366	Jul 6th 3:14 pm Bert
ROMP2 calculation Started By : Guest -	1	403	Jul 6th 3:10 pm Bert
read basis set Started By : Guest -	3	516	Jul 6th 3:07 pm Bert
QM/MM with no MM parameters Started By : TeoT	2	354	Jul 1st 12:39 am TeoT
Calculating Energies and Enthalpies Started By : Guest -	1	441	Jun 28th 10:23 am Guest -
ECP60MDF Started By : Brynetan	7	1308	Jun 22nd 2:17 pm Guest -
Question about ONIOM/QMMM Started By : Guest -	0	238	Jun 21st 2:35 pm Guest -
qmmm dynamics Started By : Guest -	3	305	Jun 17th 10:21 pm Guest -
How to convert AMBER(xleap) format atom name to NW amber format Started By : Xiaosy567	1	817	Jun 17th 9:20 am Marat
qmmm free energies Started By : Guest -	3	405	Jun 13th 9:36 am Guest -
SODFT frequencies Started By : Guest -	1	509	Jun 8th 5:35 pm Niri

Forum >> NWChem's corner >> General Topics

Jump to page 1Prev 255Next 25Last

Who's here now Members 0 Guests 0 Bots/Crawler 1

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

Search

Navigation

SEARCH

TOOLBOX

LANGUAGES

Forum Menu

General Topics

From NWChem

Toolbox