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Displaying 25 results for: Huub Posts
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Thread Title Replies Views Last Action Forum
Compilation error with include/mafdecls.fh
Started By : Ofer4
2 2679 Oct 24th 8:40 am
Huub
Compiling NWChem
Problem accessing BSE through WSDL
Started By : Makowskm
2 2288 Oct 17th 11:55 pm
Makowskm
General BSE Topics
Gaussian basis functions used in NWChem
Started By : Alexx
1 1588 Aug 26th 9:01 am
Huub
General Topics
Questions about the optimization algorithms
Started By : Ivo
3 1617 Aug 21st 6:21 am
Ivo
Running NWChem
Default rsolv value in nwchem 6.3 vs earlier versions
Started By : Ohlincha
3 1560 Jul 30th 2:56 pm
Ohlincha
Running NWChem
no scf iteration !
Started By : Mnahali
6 2966 Jul 23rd 11:39 am
Mnahali
Running NWChem
Nwchem 6.3 running in Parallel
Started By : Anita
4 1908 Jul 19th 3:34 am
Anita
Running NWChem
overlap matrix of atomic orbitals
Started By : Alexx
7 3886 Jul 12th 1:34 pm
Alexx
NWChem functionality
6.3 openib build problems?
Started By : Michael tn
4 2784 Jul 9th 7:59 am
Edoapra
Compiling NWChem
6.3 openmpi/openib/intel build script?
Started By : Michael tn
3 1397 Jul 9th 7:34 am
Huub
Compiling NWChem
Looking for help on electron transfer using CDFT
Started By : Mahbub03
2 1520 Jul 8th 1:28 pm
Mahbub03
General Topics
problems with noscf
Started By : Mo
2 1161 Jul 4th 8:20 am
Mo
Running NWChem
An error in the ANO-RCC/Sb basis functions
Started By : Zork
4 2983 Jul 2nd 12:19 pm
Huub
General BSE Topics
Error in ANO-RCC Mg and Al
Started By : Jellby
5 2087 Jul 1st 1:19 am
Jellby
General BSE Topics
NWChem-6.3 (2013-05-28) on SUSE Linux
Started By : Tz
5 3289 Jun 21st 8:19 pm
Tz
Compiling NWChem
MA fatal error: MA_sizeof: invalid datatype
Started By : Davis68
2 3166 Jun 19th 6:37 pm
Davis68
Compiling NWChem
COSMO and UHF?
Started By : Beckmw
8 2471 Jun 3rd 11:31 am
MSiebert
General Topics
rodft and range separated-functional
Started By : Goose99
3 2468 May 24th 6:51 pm
Goose99
Running NWChem
Compiling NWCHEM in an IBM PPC64 running linux.
Started By : Obm
2 2333 May 9th 6:19 pm
Sungeunbae
Compiling NWChem
DFT-D3 and CGMIN option
Started By : Jia
1 1335 Apr 8th 12:13 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 3308 Mar 6th 10:42 am
Huub
General Topics
Error running any job on cluster running Ubuntu 12.04
Started By : Flaregunhobo
4 2686 Dec 27th 7:34 pm
Flaregunhobo
Running NWChem
Grid file results question
Started By : Lmyiop
2 2220 Nov 30th 10:09 am
Huub
General Topics
large non-protein molecule qmmm or md preparation
Started By : Sacch
2 1783 Nov 29th 5:41 pm
Sacch
QMMM
NWCHEM runs with low %CPU
Started By : Ranez
2 1632 Nov 29th 12:02 pm
Ranez
Running NWChem
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