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Compiling NWChem on Cygwin1 2
Started By : P99
21 15166 Aug 4th 9:15 am
Noureddine
Compiling NWChem
printing hessian with greater precision
Started By : Jrrustad
6 2022 Dec 10th 2:29 pm
Tsenf
General Topics
Large couplings for ET calcs
Started By : Cchang
9 3365 Dec 6th 8:46 am
YALDA88
Running NWChem
warning: error on integrated density
Started By : Guest -
3 2302 Nov 11th 10:02 am
Edoapra
Running NWChem
electronic coupling from CDFT
Started By : Tiechong
11 3191 Aug 24th 11:47 am
Edoapra
Running NWChem
Converting MD trajectories from NWChem to anything VMD can read.
Started By : Diegoarmino
4 4952 Apr 29th 5:17 pm
Jhammond
Running NWChem
SODFT ZORA
Started By : Mef362
2 1780 Apr 22nd 12:09 pm
Erikm
General Topics
DFTB-D in nwchem
Started By : Lmyiop
2 3142 Mar 16th 3:14 am
Iresh
General Topics
NWchem 6.1 with CCSDTQ and CCSDTLR
Started By : Marcinz
2 2440 Dec 10th 9:42 am
Jhammond
Compiling NWChem
Dielectric Properties at MP2 and CCSD(T) level of theory
Started By : Guest -
6 3418 Dec 10th 9:35 am
Jhammond
Running NWChem
COSMO output questions
Started By : Redmilps
4 2670 Dec 7th 2:29 pm
Seunmesele
NWChem functionality
GNU make 3.82 issue
Started By : Kernelpanic
10 5334 Sep 9th 5:15 am
Neo
Compiling NWChem
band structure
Started By : Makhyoun
3 1760 Jun 2nd 9:56 am
Jcgolden
General Topics
Dalton format
Started By : Tkjaer
3 2690 May 13th 2:16 pm
Huub
General BSE Topics
calculation of electronic coupling for help
Started By : Tfliu
2 1370 Mar 7th 12:17 am
Tfliu
General Topics
How to bring wall time closer to cpu time
Started By : Sergei
2 2196 Feb 12th 2:12 pm
Mlee33
Running NWChem
natural orbitals
Started By : Adam.k
5 2159 Feb 11th 7:13 am
Mark
NWChem functionality
How to visualize the trjactory generated by NWChem
Started By : Wjb0920
6 3702 Jan 4th 10:51 pm
Nfrik
Running NWChem
esp restrain
Started By : P99
14 2924 Jan 2nd 7:43 am
P99
General Topics
IRC calculations
Started By : Jbaltrus
4 3069 Oct 3rd 3:07 pm
Jbaltrus
NWChem functionality
How to get the open shell singlet state (singlet biradical) of ozone (O3)
Started By : Guest -
14 11556 Sep 3rd 3:00 am
Shahabnaghavi
General Topics
Problem with installing nwchem6.3 in fedora 14 : package couldn't found.
Started By : Shilpinwchem
1 1736 Jul 10th 9:24 am
Bert
Compiling NWChem
DFT input parse error
Started By : Bk.ong
5 2771 Jul 10th 9:20 am
Bert
Running NWChem
Possible Bug in NWCHEM: TD-B97
Started By : TAR
6 2368 Jul 10th 9:11 am
Bert
General Topics
CCSD iterations does not converge
Started By : Rusun
11 4484 Jul 10th 9:08 am
Bert
General Topics
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