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Thread Title Replies Views Last Action Forum
A request for help1 2
Started By : Jason York
18 1255 Aug 20th 4:53 am
Dathan87
Compiling NWChem
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
Started By : Xiongyan21
28 8463 Sep 21st 2:36 pm
Jhammond
Compiling NWChem
Simple scf optimization with simple basis set
Started By : 4rhanes
1 491 Jan 15th 3:54 pm
Mernst
Running NWChem
implementation of 1e- and 2e-integrals
Started By : Masoud
1 807 Jan 13th 1:56 pm
Mernst
Feedback
This error has not yet been assigned to a category
Started By : S.Nasiri
3 1003 Jan 4th 10:05 am
Giaccai
General Topics
Wall time vs CPU time
Started By : Frank.ramirez
8 932 Dec 10th 9:17 am
Frank.ramirez
General Topics
Web services and/or database access
Started By : Avirshup
2 613 Dec 8th 12:37 pm
Avirshup
General BSE Topics
Apparent bug in MP3 portion of MP4 calculation1 2
Started By : Mernst
17 3108 Dec 5th 7:28 pm
Xiongyan21
Running NWChem
many TCE methods broken with 2eorb
Started By : Mernst
4 999 Dec 3rd 5:44 am
Jhammond
Running NWChem
Is extraction of dipole moments from real-time TDDFT a Python command?1 2
Started By : Xiongyan21
30 5621 Nov 22nd 7:18 am
Mohammad hasan
Running NWChem
Running NWChem on 2 nodes takes more time than a single node
Started By : Extremis
5 1290 Nov 10th 7:58 am
Extremis
Running NWChem
NWChem 6.6beta test
Started By : KAZat
3 694 Oct 18th 11:28 pm
KAZat
Running NWChem
Beta version of NWChem 6.6 available for download
Started By : Edoapra
4 2224 Oct 9th 6:12 pm
Edoapra
Feedback
Possible error in TDDFT Gradient
Started By : Tristhaus
6 1721 Aug 11th 9:03 am
Niri
Feedback
Rotation Entropy for non-Abelian point group sym and CC-methods.
Started By : Vladimir
5 2048 Jul 15th 8:28 pm
Vladimir
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
Hardware recommendation
Started By : Extremis
4 1176 Jul 14th 3:50 pm
Jhammond
Running NWChem
Does the TCE officially support QCISD(T)?
Started By : Mernst
5 2310 Jul 14th 11:16 am
Drhaney
NWChem functionality
Error related to the specified geometry
Started By : Gayverjr
2 680 Jul 10th 8:25 am
Gayverjr
Running NWChem
linear response TDDFT calculations
Started By : Ph1130835
10 1779 Jul 2nd 4:01 am
Ph1130835
General Topics
bas_geobas_build error message while running a calculation using ZORA feature
Started By : Tatireddy
9 1478 Jun 30th 11:02 pm
Tatireddy
Running NWChem
CCSD(T) createfile: failed ga_create size=*********
Started By : Gncs
3 1048 Jun 23rd 11:11 pm
Gncs
Running NWChem
6-311G basis set for transition metals
Started By : Mark
3 2031 Jun 17th 11:20 am
Mernst
General BSE Topics
scf energy error
Started By : Aniruddha
2 689 Jun 11th 4:30 pm
Aniruddha
General Topics
ECCE on debian jessie (current stable)
Started By : Ohlincha
1 1622 Jun 5th 5:14 pm
Mernst
General ECCE Topics
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