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CCSD 2emet 9 returns error
Started By : Vladimir 		5 714 Feb 22nd 8:14 pm
Xiongyan21		 Running NWChem
Molekel and Nwchem Ouput
Started By : Reoverstreet 		5 2652 Feb 7th 10:53 am
Edoapra		 NWChem functionality
Third release candidate for NWChem 6.8 available
Started By : Edoapra 		7 1355 Dec 3rd 4:06 pm
Edoapra		 General Topics
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
Started By : Xiongyan21 		12 746 Nov 21st 9:47 pm
Xiongyan21		 Compiling NWChem
Collaboration on NWChem Models on Cloud Supercomputers
Started By : JenniferCarter 		6 378 Oct 12th 9:21 am
JenniferCarter		 Running NWChem
MK-CCSD on Kogence isn't much faster as expected.
Started By : Vladimir 		3 301 Oct 10th 9:20 am
Vladimir		 Running NWChem
CCSD(T) calculation with fraction occupation numbers
Started By : Jkr 		3 713 Feb 11th 9:50 pm
Xiongyan21		 Running NWChem
Different symmetry group for TCE and geometry optimisation
Started By : Vladimir 		2 547 Dec 29th 6:37 am
Vladimir		 Running NWChem
MRCC_METHODS vs MRCC_THEORY
Started By : Vladimir 		3 747 Dec 7th 3:55 pm
Edoapra		 Compiling NWChem
Docker container for nwchem.
Started By : Vladimir 		2 1091 Oct 28th 12:41 am
Vladimir		 Running NWChem
2emet and initial wf from DFT
Started By : Obm 		2 599 Sep 21st 2:58 pm
Jhammond		 Running NWChem
CCSD gradients
Started By : Mbanck 		7 1138 May 29th 2:35 pm
Mbanck		 NWChem functionality
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir 		8 2410 May 12th 8:52 pm
Vladimir		 Compiling NWChem
How to view the optimized geometry from Nwchem geometry optimization?
Started By : DL Lee 		2 999 Oct 15th 5:17 pm
DL Lee		 General Topics
Beta version of NWChem 6.6 available for download
Started By : Edoapra 		4 2521 Oct 9th 7:12 pm
Edoapra		 Feedback
For more than 300 electron: fixing electrons in MO
Started By : Nwchemy 		2 1098 Sep 23rd 9:31 am
Vladimir		 General Topics
can we have pseudopotentials with atomic basis sets
Started By : Holyriver6 		2 765 Sep 21st 8:11 am
Holyriver6		 Running NWChem
nwmolden.F
Started By : Vladimir 		2 1320 Sep 8th 3:17 pm
Jhammond		 NWChem functionality
Compiling mov2asc fails
Started By : Bob79 		7 2970 Aug 29th 9:14 pm
Vladimir		 Compiling NWChem
Rotation Entropy for non-Abelian point group sym and CC-methods.
Started By : Vladimir 		5 2333 Jul 15th 9:28 pm
Vladimir		 NWChem functionality
nwchem changing geometry
Started By : Rpmuller 		2 1037 May 2nd 8:48 am
Rpmuller		 Running NWChem
density fitting in TDDFT didn't work with symmetry
Started By : Vladimir 		3 1493 Apr 7th 11:35 pm
Vladimir		 NWChem functionality
When memory is not enough
Started By : Vladimir 		3 2000 Mar 15th 6:56 pm
Vladimir		 Running NWChem
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume 		3 3185 Mar 9th 6:46 pm
Vladimir		 Compiling NWChem
mkccsd geometry optimization
Started By : Sokovyty 		2 1792 Feb 12th 7:03 pm
Vladimir		 NWChem functionality
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