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Displaying 25 results for: Vladimir Posts
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CCSD 2emet 9 returns error
Started By : Vladimir
5 782 Feb 22nd 8:14 pm
Xiongyan21
Running NWChem
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2779 Feb 7th 10:53 am
Edoapra
NWChem functionality
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 1640 Dec 3rd 4:06 pm
Edoapra
General Topics
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
Started By : Xiongyan21
12 881 Nov 21st 9:47 pm
Xiongyan21
Compiling NWChem
Collaboration on NWChem Models on Cloud Supercomputers
Started By : JenniferCarter
6 448 Oct 12th 9:21 am
JenniferCarter
Running NWChem
MK-CCSD on Kogence isn't much faster as expected.
Started By : Vladimir
3 360 Oct 10th 9:20 am
Vladimir
Running NWChem
CCSD(T) calculation with fraction occupation numbers
Started By : Jkr
3 786 Feb 11th 9:50 pm
Xiongyan21
Running NWChem
Different symmetry group for TCE and geometry optimisation
Started By : Vladimir
2 599 Dec 29th 6:37 am
Vladimir
Running NWChem
MRCC_METHODS vs MRCC_THEORY
Started By : Vladimir
3 807 Dec 7th 3:55 pm
Edoapra
Compiling NWChem
Docker container for nwchem.
Started By : Vladimir
2 1222 Oct 28th 12:41 am
Vladimir
Running NWChem
2emet and initial wf from DFT
Started By : Obm
2 654 Sep 21st 2:58 pm
Jhammond
Running NWChem
CCSD gradients
Started By : Mbanck
7 1241 May 29th 2:35 pm
Mbanck
NWChem functionality
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 2559 May 12th 8:52 pm
Vladimir
Compiling NWChem
How to view the optimized geometry from Nwchem geometry optimization?
Started By : DL Lee
2 1062 Oct 15th 5:17 pm
DL Lee
General Topics
Beta version of NWChem 6.6 available for download
Started By : Edoapra
4 2603 Oct 9th 7:12 pm
Edoapra
Feedback
For more than 300 electron: fixing electrons in MO
Started By : Nwchemy
2 1154 Sep 23rd 9:31 am
Vladimir
General Topics
can we have pseudopotentials with atomic basis sets
Started By : Holyriver6
2 829 Sep 21st 8:11 am
Holyriver6
Running NWChem
nwmolden.F
Started By : Vladimir
2 1479 Sep 8th 3:17 pm
Jhammond
NWChem functionality
Compiling mov2asc fails
Started By : Bob79
7 3041 Aug 29th 9:14 pm
Vladimir
Compiling NWChem
Rotation Entropy for non-Abelian point group sym and CC-methods.
Started By : Vladimir
5 2401 Jul 15th 9:28 pm
Vladimir
NWChem functionality
nwchem changing geometry
Started By : Rpmuller
2 1078 May 2nd 8:48 am
Rpmuller
Running NWChem
density fitting in TDDFT didn't work with symmetry
Started By : Vladimir
3 1539 Apr 7th 11:35 pm
Vladimir
NWChem functionality
When memory is not enough
Started By : Vladimir
3 2054 Mar 15th 6:56 pm
Vladimir
Running NWChem
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume
3 3304 Mar 9th 6:46 pm
Vladimir
Compiling NWChem
mkccsd geometry optimization
Started By : Sokovyty
2 1849 Feb 12th 7:03 pm
Vladimir
NWChem functionality
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