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Displaying 25 results for: Huub Posts

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Thread Title	Replies	Views	Last Action	Forum
Compiling NWCHEM in an IBM PPC64 running linux. Started By : Obm	2	420	May 9th 7:19 pm Sungeunbae	Compiling NWChem
DFT-D3 and CGMIN option Started By : Jia	1	167	Apr 8th 1:13 pm Huub	General Topics
post installation problem "0:0:ga_orthog: hard zero:: 1 and ARMCI DASSERT fail. armci.c:ARMCI_Error Started By : Chaitanya	10	513	Mar 6th 11:42 am Huub	General Topics
Linking NWChem against Intel's MKL Started By : DouDou	5	475	Jan 4th 10:42 am DouDou	Compiling NWChem
Error running any job on cluster running Ubuntu 12.04 Started By : Flaregunhobo	4	411	Dec 27th 8:34 pm Flaregunhobo	Running NWChem
Grid file results question Started By : Lmyiop	2	313	Nov 30th 11:09 am Huub	General Topics
large non-protein molecule qmmm or md preparation Started By : Sacch	2	333	Nov 29th 6:41 pm Sacch	QMMM
NWCHEM runs with low %CPU Started By : Ranez	2	344	Nov 29th 1:02 pm Ranez	Running NWChem
ESP module source code questions Started By : Lmyiop	2	301	Nov 29th 10:41 am Huub	General Topics
parllel NWChem 6.1.1 vs Ubuntu 12.04 Started By : Clef	1	473	Nov 28th 10:51 am Huub	Compiling NWChem
"sym_movecs_adapt: no significant component?" Error Started By : DouDou	7	599	Nov 25th 12:26 am Goranka	General Topics
undefined references in 6.1.1 Started By : Goranka	3	362	Nov 22nd 3:17 am Sacch	Compiling NWChem
compiling 6.1.1 Started By : Zhdsheng	4	1296	Nov 20th 9:27 am WillEverett	Compiling NWChem
Strange results with m06-2x... Started By : Adampelzer	9	385	Nov 19th 11:01 am Huub	Running NWChem
constrained minimizations (bond length scans) Started By : Adampelzer	1	250	Nov 16th 12:42 pm Huub	Running NWChem
NWCHEM training Started By : Spring	1	207	Nov 14th 12:28 pm Huub	General Topics
Can I fix an atom in QM region during QMMM simulation? Started By : Flamcsd	1	312	Sep 20th 3:16 pm Huub	QMMM
Electron transfer between two different conjugated molecules Started By : Julien ide	2	538	Sep 19th 1:27 am Julien ide	General Topics
printing hessian with greater precision Started By : Jrrustad	5	474	Sep 5th 2:09 pm Bert	General Topics
Internal Coordinates Started By : Spring	3	428	Sep 5th 2:07 pm Bert	General Topics
Basis Set Library currently offline Started By : Huub	2	694	Aug 27th 2:04 pm Huub	General BSE Topics
dft optimize failed Started By : Ysun	14	695	Aug 17th 2:52 am Ysun	General Topics
moints_semi: failed to open half int file1 2 Started By : Ysun	23	1980	Aug 10th 4:41 am Ysun	General Topics
Problems compiling nwchem with openSUSE, gcc, openmpi Started By : Jwkeller	12	1356	Aug 9th 2:34 pm Bert	Compiling NWChem
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6 Started By : DouDou	2	739	Aug 1st 9:06 pm DouDou	Compiling NWChem
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