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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	1701	Mar 16th 6:43 pm Edoapra	Running NWChem
Apparent bug in MP3 portion of MP4 calculation1 2 Started By : Mernst	17	4285	Dec 5th 8:28 pm Xiongyan21	Running NWChem
many TCE methods broken with 2eorb Started By : Mernst	4	1247	Dec 3rd 6:44 am Jhammond	Running NWChem
hashv2: key not found with TCE and MP4 Started By : Mernst	1	1228	Nov 28th 11:43 pm Jhammond	Running NWChem
bug: 2eorb used to work with MBPT, now crashes Started By : Mernst	1	1193	Nov 28th 11:40 pm Jhammond	General Topics
"freeze atomic" plus no valence electrons crashes CCSD Started By : Mernst	0	850	Oct 29th 7:00 pm Mernst	Running NWChem
undocumented: DFT virtual spectrum vspec Started By : Mernst	3	1977	Oct 25th 11:58 am Mlundie	NWChem functionality
armci undefined symbols building 6.5 on OS X 10.10.2 Started By : Mernst	3	1547	Jul 15th 5:55 pm Mernst	Compiling NWChem
Does the TCE officially support QCISD(T)? Started By : Mernst	5	2512	Jul 14th 12:16 pm Drhaney	NWChem functionality
bug after r26901: rotational entropy missing from output Started By : Mernst	1	1062	May 26th 10:11 am Edoapra	General Topics
Floating Point Exception using shared file IO with TCE Started By : Mernst	6	2606	May 2nd 2:35 am Xiongyan21	Running NWChem
memory_total ignored in $HOME/.nwchemrc? Started By : Mernst	1	887	Apr 30th 2:38 pm Mernst	Running NWChem
URL structure for NWChem documentation Started By : Mernst	2	2040	Mar 9th 10:13 am Mernst	Feedback
misnamed elements in CRENBL ECP basis set Started By : Mernst	0	1642	Mar 4th 2:42 am Mernst	General BSE Topics
hydrogen in aug-cc-pCV5Z Started By : Mernst	0	1626	Mar 4th 2:32 am Mernst	General BSE Topics
Thank you for excellent free software! Started By : Mernst	0	1912	Oct 7th 2:25 pm Mernst	Feedback
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64 Started By : Mernst	4	6893	Aug 29th 6:44 pm Mernst	Compiling NWChem
disp_dimer_ch4 QA case needs update for dispersion correction Started By : Mernst	3	1369	Jun 3rd 1:15 pm Edoapra	NWChem functionality

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