NWChem functionality

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Topics related to current and future functionality of NWChem
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Announcement's Replies Views Last Action
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 348 Dec 3rd 3:06 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2048 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2177 Jan 28th 1:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5664 Oct 20th 3:12 pm
Edoapra

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Thread Title Replies Views Last Action
accessing MOs from python
Started By : Guest -
1 2275 Apr 1st 11:28 am
Bert
suggestion for future release: setting up permanent_dir via environmental variable
Started By : Rostov
2 2657 Apr 1st 11:26 am
Bert
EA-EOMCC methods
Started By : Guest -
1 2010 Mar 2nd 11:14 am
Guest -
TDDFT Transition densities
Started By : Guest -
0 2509 Jan 25th 1:25 am
Guest -
DFT-D in Nwchem
Started By : Strutynski.karol
3 3112 Jan 24th 6:59 am
Strutynski.karol
Spin-orbit coupling martrix elements calculation with NWchem
Started By : Xyzzz986
1 3413 Dec 12th 7:51 pm
Niri
basis sets for relativistic NESC
Started By : Zork
1 2853 Oct 28th 4:03 pm
Bert
Fix for S4 symmetry with NWChem 6.0
Started By : Niri
0 2698 Oct 26th 11:19 am
Niri
DNTMC
Started By : Guest -
1 1935 Oct 18th 9:34 am
Guest -
Welcome..
Started By : WikiSysop
0 2080 Sep 3rd 8:49 am
WikiSysop

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