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Displaying 18 results for: Mernst Topics
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Thread Title Replies Views Last Action Forum
Minnesota density functionals crash w/NWXC and shielding properties
Started By : Mernst
1 1542 Mar 16th 5:43 pm
Edoapra
Running NWChem
Apparent bug in MP3 portion of MP4 calculation1 2
Started By : Mernst
17 3120 Dec 5th 7:28 pm
Xiongyan21
Running NWChem
many TCE methods broken with 2eorb
Started By : Mernst
4 1001 Dec 3rd 5:44 am
Jhammond
Running NWChem
hashv2: key not found with TCE and MP4
Started By : Mernst
1 1048 Nov 28th 10:43 pm
Jhammond
Running NWChem
bug: 2eorb used to work with MBPT, now crashes
Started By : Mernst
1 1033 Nov 28th 10:40 pm
Jhammond
General Topics
"freeze atomic" plus no valence electrons crashes CCSD
Started By : Mernst
0 586 Oct 29th 6:00 pm
Mernst
Running NWChem
undocumented: DFT virtual spectrum vspec
Started By : Mernst
3 1746 Oct 25th 10:58 am
Mlundie
NWChem functionality
armci undefined symbols building 6.5 on OS X 10.10.2
Started By : Mernst
3 1352 Jul 15th 4:55 pm
Mernst
Compiling NWChem
Does the TCE officially support QCISD(T)?
Started By : Mernst
5 2314 Jul 14th 11:16 am
Drhaney
NWChem functionality
bug after r26901: rotational entropy missing from output
Started By : Mernst
1 832 May 26th 9:11 am
Edoapra
General Topics
Floating Point Exception using shared file IO with TCE
Started By : Mernst
6 2349 May 2nd 1:35 am
Xiongyan21
Running NWChem
memory_total ignored in $HOME/.nwchemrc?
Started By : Mernst
1 713 Apr 30th 1:38 pm
Mernst
Running NWChem
URL structure for NWChem documentation
Started By : Mernst
2 1860 Mar 9th 9:13 am
Mernst
Feedback
misnamed elements in CRENBL ECP basis set
Started By : Mernst
0 1484 Mar 4th 1:42 am
Mernst
General BSE Topics
hydrogen in aug-cc-pCV5Z
Started By : Mernst
0 1499 Mar 4th 1:32 am
Mernst
General BSE Topics
Thank you for excellent free software!
Started By : Mernst
0 1756 Oct 7th 1:25 pm
Mernst
Feedback
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64
Started By : Mernst
4 6136 Aug 29th 5:44 pm
Mernst
Compiling NWChem
disp_dimer_ch4 QA case needs update for dispersion correction
Started By : Mernst
3 1171 Jun 3rd 12:15 pm
Edoapra
NWChem functionality

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