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Thread Title	Replies	Views	Last Action	Forum
A request for help1 2 Started By : Jason York	19	2530	Apr 16th 4:50 pm 4rhanes	Compiling NWChem
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2 Started By : Xiongyan21	28	10079	Sep 21st 3:36 pm Jhammond	Compiling NWChem
Simple scf optimization with simple basis set Started By : 4rhanes	1	655	Jan 15th 4:54 pm Mernst	Running NWChem
implementation of 1e- and 2e-integrals Started By : Masoud	1	1058	Jan 13th 2:56 pm Mernst	Feedback
This error has not yet been assigned to a category Started By : S.Nasiri	3	1361	Jan 4th 11:05 am Giaccai	General Topics
Wall time vs CPU time Started By : Frank.ramirez	8	1241	Dec 10th 10:17 am Frank.ramirez	General Topics
Web services and/or database access Started By : Avirshup	2	774	Dec 8th 1:37 pm Avirshup	General BSE Topics
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
Is extraction of dipole moments from real-time TDDFT a Python command?1 2 Started By : Xiongyan21	30	7067	Nov 22nd 8:18 am Mohammad hasan	Running NWChem
Running NWChem on 2 nodes takes more time than a single node Started By : Extremis	5	1659	Nov 10th 8:58 am Extremis	Running NWChem
NWChem 6.6beta test Started By : KAZat	3	1000	Oct 19th 12:28 am KAZat	Running NWChem
Beta version of NWChem 6.6 available for download Started By : Edoapra	4	2503	Oct 9th 7:12 pm Edoapra	Feedback
Possible error in TDDFT Gradient Started By : Tristhaus	6	2029	Aug 11th 10:03 am Niri	Feedback
Rotation Entropy for non-Abelian point group sym and CC-methods. Started By : Vladimir	5	2320	Jul 15th 9:28 pm Vladimir	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
Hardware recommendation Started By : Extremis	4	1436	Jul 14th 4:50 pm Jhammond	Running NWChem
Does the TCE officially support QCISD(T)? Started By : Mernst	5	2512	Jul 14th 12:16 pm Drhaney	NWChem functionality
Error related to the specified geometry Started By : Gayverjr	2	870	Jul 10th 9:25 am Gayverjr	Running NWChem
linear response TDDFT calculations Started By : Ph1130835	10	2101	Jul 2nd 5:01 am Ph1130835	General Topics
bas_geobas_build error message while running a calculation using ZORA feature Started By : Tatireddy	9	1699	Jul 1st 12:02 am Tatireddy	Running NWChem
CCSD(T) createfile: failed ga_create size=********* Started By : Gncs	3	1394	Jun 24th 12:11 am Gncs	Running NWChem
6-311G basis set for transition metals Started By : Mark	3	2363	Jun 17th 12:20 pm Mernst	General BSE Topics
scf energy error Started By : Aniruddha	2	911	Jun 11th 5:30 pm Aniruddha	General Topics
ECCE on debian jessie (current stable) Started By : Ohlincha	1	1836	Jun 5th 6:14 pm Mernst	General ECCE Topics
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