NWChem functionality

From NWChem

Topics related to current and future functionality of NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1222 Dec 14th 2:51 pm
Edoapra

Jump to page 12345678Next 25Last
Thread Title Replies Views Last Action
Error!
Started By : Fatemeh
0 32 Aug 14th 12:25 am
Fatemeh
e-density
Started By : Fatemeh
1 69 Aug 8th 12:19 am
Fatemeh
Methodology for calculating J-couplings
Started By : Raul l
4 1288 Aug 6th 1:39 am
Inaki morao
dipole moment
Started By : Fatemeh
3 82 Jul 23rd 6:22 am
Fatemeh
Plane Wave Density Functional Theory and relativistic effects
Started By : Miro ilias
0 56 Jul 19th 1:02 pm
Miro ilias
fconly for spin-spin coupling
Started By : Ericj
0 78 Jul 10th 9:52 am
Ericj
Raman Intensity String Length
Started By : Rsiegel
1 99 Jun 14th 4:13 am
Sean
SCAN meta-GGA functional
Started By : Bsantra
1 145 May 24th 8:11 am
Niri
Screened Range-Separated Hybrid Functional
Started By : Leahbd
0 70 May 14th 4:56 am
Leahbd
ESP module
Started By : Chloe
8 3015 May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 148 May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
Started By : Cma46
2 235 May 4th 5:53 pm
Xiongyan21
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
2 181 May 4th 12:25 am
Xiongyan21
Grid specification for dummy atoms
Started By : Bmoore17
3 2280 May 3rd 10:34 pm
Neo
4c integrals
Started By : Mdvorak
1 120 Apr 18th 10:38 am
Edoapra
Units of DPLOT Cube Output
Started By : Philly GT
1 157 Mar 30th 9:47 am
Edoapra
mepgs and MCSCF
Started By : Tunell
0 142 Feb 27th 3:42 am
Tunell
SO-DFT Property Calculation
Started By : Sparks
2 221 Feb 19th 3:29 am
Sparks
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2729 Feb 7th 10:53 am
Edoapra
Raman plot point number
Started By : Faklerus
6 379 Feb 1st 10:41 am
Edoapra
M06-2x and DISP v.4
Started By : Lmihael
3 422 Dec 4th 1:40 pm
Edoapra
Temperature Accelerated Molecular Dynamics
Started By : Silvio
0 205 Nov 10th 10:32 pm
Silvio
Relativistic spin-spin couplings
Started By : Hmsenn
1 323 Nov 2nd 1:53 pm
Niri
cvr_scaling and torsional angle
Started By : Sandile5
0 185 Oct 27th 7:30 pm
Sandile5
Excited States State Dipole Moment with TD-DFT
Started By : DouDou
7 2427 Oct 26th 6:36 am
P.partovi

Forum >> NWChem's corner >> NWChem functionality
Jump to page 12345678Next 25Last



Who's here now Members 0 Guests 2 Bots/Crawler 1


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