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Displaying 18 results for: Huub Posts
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Thread Title Replies Views Last Action Forum
ESP module source code questions
Started By : Lmyiop
2 2068 Nov 29th 9:41 am
Huub
General Topics
parllel NWChem 6.1.1 vs Ubuntu 12.04
Started By : Clef
1 2218 Nov 28th 9:51 am
Huub
Compiling NWChem
"sym_movecs_adapt: no significant component?" Error
Started By : DouDou
7 2600 Nov 24th 11:26 pm
Goranka
General Topics
undefined references in 6.1.1
Started By : Goranka
3 2764 Nov 22nd 2:17 am
Sacch
Compiling NWChem
compiling 6.1.1
Started By : Zhdsheng
4 4503 Nov 20th 8:27 am
WillEverett
Compiling NWChem
Strange results with m06-2x...
Started By : Adampelzer
9 3506 Nov 19th 10:01 am
Huub
Running NWChem
constrained minimizations (bond length scans)
Started By : Adampelzer
1 2385 Nov 16th 11:42 am
Huub
Running NWChem
NWCHEM training
Started By : Spring
1 1311 Nov 14th 11:28 am
Huub
General Topics
Can I fix an atom in QM region during QMMM simulation?
Started By : Flamcsd
1 1652 Sep 20th 2:16 pm
Huub
QMMM
Internal Coordinates
Started By : Spring
3 1868 Sep 5th 1:07 pm
Bert
General Topics
Basis Set Library currently offline
Started By : Huub
2 2951 Aug 27th 1:04 pm
Huub
General BSE Topics
dft optimize failed
Started By : Ysun
14 3625 Aug 17th 1:52 am
Ysun
General Topics
moints_semi: failed to open half int file1 2
Started By : Ysun
23 13816 Aug 10th 3:41 am
Ysun
General Topics
Problems compiling nwchem with openSUSE, gcc, openmpi
Started By : Jwkeller
12 8004 Aug 9th 1:34 pm
Bert
Compiling NWChem
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
Started By : DouDou
2 3349 Aug 1st 8:06 pm
DouDou
Compiling NWChem
Wrong ordering of energy levels
Started By : Chloe
2 2043 May 28th 7:31 am
Chloe
General Topics
mcscf:linear dependent AO basis
Started By : Adam
3 4616 May 21st 12:05 pm
Huub
General Topics
Help with DFT and Cosmo
Started By : Rpmuller
5 2958 Apr 23rd 6:48 am
Rpmuller
General Topics
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