(18) Search Results

From NWChem

Displaying 18 results for: Mernst Topics
Jump to: navigation, search

Thread Title Replies Views Last Action Forum
Minnesota density functionals crash w/NWXC and shielding properties
Started By : Mernst
1 1498 Mar 16th 6:43 pm
Edoapra
Running NWChem
Apparent bug in MP3 portion of MP4 calculation1 2
Started By : Mernst
17 2823 Dec 5th 8:28 pm
Xiongyan21
Running NWChem
many TCE methods broken with 2eorb
Started By : Mernst
4 922 Dec 3rd 6:44 am
Jhammond
Running NWChem
hashv2: key not found with TCE and MP4
Started By : Mernst
1 975 Nov 28th 11:43 pm
Jhammond
Running NWChem
bug: 2eorb used to work with MBPT, now crashes
Started By : Mernst
1 975 Nov 28th 11:40 pm
Jhammond
General Topics
"freeze atomic" plus no valence electrons crashes CCSD
Started By : Mernst
0 513 Oct 29th 7:00 pm
Mernst
Running NWChem
undocumented: DFT virtual spectrum vspec
Started By : Mernst
3 1685 Oct 25th 11:58 am
Mlundie
NWChem functionality
armci undefined symbols building 6.5 on OS X 10.10.2
Started By : Mernst
3 1294 Jul 15th 5:55 pm
Mernst
Compiling NWChem
Does the TCE officially support QCISD(T)?
Started By : Mernst
5 2261 Jul 14th 12:16 pm
Drhaney
NWChem functionality
bug after r26901: rotational entropy missing from output
Started By : Mernst
1 745 May 26th 10:11 am
Edoapra
General Topics
Floating Point Exception using shared file IO with TCE
Started By : Mernst
6 2277 May 2nd 2:35 am
Xiongyan21
Running NWChem
memory_total ignored in $HOME/.nwchemrc?
Started By : Mernst
1 663 Apr 30th 2:38 pm
Mernst
Running NWChem
URL structure for NWChem documentation
Started By : Mernst
2 1799 Mar 9th 10:13 am
Mernst
Feedback
misnamed elements in CRENBL ECP basis set
Started By : Mernst
0 1446 Mar 4th 2:42 am
Mernst
General BSE Topics
hydrogen in aug-cc-pCV5Z
Started By : Mernst
0 1439 Mar 4th 2:32 am
Mernst
General BSE Topics
Thank you for excellent free software!
Started By : Mernst
0 1713 Oct 7th 2:25 pm
Mernst
Feedback
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64
Started By : Mernst
4 5935 Aug 29th 6:44 pm
Mernst
Compiling NWChem
disp_dimer_ch4 QA case needs update for dispersion correction
Started By : Mernst
3 1102 Jun 3rd 1:15 pm
Edoapra
NWChem functionality

Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC