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 2228 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 25
Thread Title Replies Views Last Action
Calculate the energy difference of MM and QMMM
Started By : Xiaosy567
1 2162 Jun 13th 7:40 am
Marat
Combining COSMO and NMR shielding
Started By : Guest -
2 3183 Jun 8th 5:36 pm
Niri
Freq calculation with freeze atoms
Started By : Guest -
1 2459 May 17th 11:54 am
Bert
Spin density for arbitrary CI
Started By : Guest -
1 2784 May 3rd 10:18 am
Bert
How to import Hessian from another program?
Started By : Guest -
2 2870 Apr 4th 11:37 am
Guest -
accessing MOs from python
Started By : Guest -
1 2682 Apr 1st 12:28 pm
Bert
suggestion for future release: setting up permanent_dir via environmental variable
Started By : Rostov
2 2977 Apr 1st 12:26 pm
Bert
EA-EOMCC methods
Started By : Guest -
1 2282 Mar 2nd 12:14 pm
Guest -
TDDFT Transition densities
Started By : Guest -
0 2842 Jan 25th 2:25 am
Guest -
DFT-D in Nwchem
Started By : Strutynski.karol
3 3379 Jan 24th 7:59 am
Strutynski.karol
Spin-orbit coupling martrix elements calculation with NWchem
Started By : Xyzzz986
1 3918 Dec 12th 8:51 pm
Niri
basis sets for relativistic NESC
Started By : Zork
1 3230 Oct 28th 5:03 pm
Bert
Fix for S4 symmetry with NWChem 6.0
Started By : Niri
0 3010 Oct 26th 12:19 pm
Niri
DNTMC
Started By : Guest -
1 2176 Oct 18th 10:34 am
Guest -
Welcome..
Started By : WikiSysop
0 2354 Sep 3rd 9:49 am
WikiSysop

Forum >> NWChem's corner >> NWChem functionality
Jump to page 1Prev 25



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