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Displaying 25 results for: Bert Posts
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Molekel and Nwchem Ouput
Started By : Reoverstreet
3 2183 Nov 13th 3:55 pm
Vladimir
NWChem functionality
Compiling NWChem on Cygwin1 2
Started By : P99
21 15665 Aug 4th 8:15 am
Noureddine
Compiling NWChem
printing hessian with greater precision
Started By : Jrrustad
6 2085 Dec 10th 1:29 pm
Tsenf
General Topics
Large couplings for ET calcs
Started By : Cchang
9 3442 Dec 6th 7:46 am
YALDA88
Running NWChem
warning: error on integrated density
Started By : Guest -
3 2345 Nov 11th 9:02 am
Edoapra
Running NWChem
electronic coupling from CDFT
Started By : Tiechong
11 3271 Aug 24th 10:47 am
Edoapra
Running NWChem
Converting MD trajectories from NWChem to anything VMD can read.
Started By : Diegoarmino
4 5034 Apr 29th 4:17 pm
Jhammond
Running NWChem
SODFT ZORA
Started By : Mef362
2 1827 Apr 22nd 11:09 am
Erikm
General Topics
DFTB-D in nwchem
Started By : Lmyiop
2 3192 Mar 16th 2:14 am
Iresh
General Topics
NWchem 6.1 with CCSDTQ and CCSDTLR
Started By : Marcinz
2 2466 Dec 10th 8:42 am
Jhammond
Compiling NWChem
Dielectric Properties at MP2 and CCSD(T) level of theory
Started By : Guest -
6 3511 Dec 10th 8:35 am
Jhammond
Running NWChem
COSMO output questions
Started By : Redmilps
4 2712 Dec 7th 1:29 pm
Seunmesele
NWChem functionality
GNU make 3.82 issue
Started By : Kernelpanic
10 5452 Sep 9th 4:15 am
Neo
Compiling NWChem
band structure
Started By : Makhyoun
3 1802 Jun 2nd 8:56 am
Jcgolden
General Topics
Dalton format
Started By : Tkjaer
3 2735 May 13th 1:16 pm
Huub
General BSE Topics
calculation of electronic coupling for help
Started By : Tfliu
2 1395 Mar 6th 11:17 pm
Tfliu
General Topics
How to bring wall time closer to cpu time
Started By : Sergei
2 2241 Feb 12th 1:12 pm
Mlee33
Running NWChem
natural orbitals
Started By : Adam.k
5 2255 Feb 11th 6:13 am
Mark
NWChem functionality
How to visualize the trjactory generated by NWChem
Started By : Wjb0920
6 3778 Jan 4th 9:51 pm
Nfrik
Running NWChem
esp restrain
Started By : P99
14 2982 Jan 2nd 6:43 am
P99
General Topics
IRC calculations
Started By : Jbaltrus
4 3164 Oct 3rd 2:07 pm
Jbaltrus
NWChem functionality
How to get the open shell singlet state (singlet biradical) of ozone (O3)
Started By : Guest -
14 11936 Sep 3rd 2:00 am
Shahabnaghavi
General Topics
Problem with installing nwchem6.3 in fedora 14 : package couldn't found.
Started By : Shilpinwchem
1 1760 Jul 10th 8:24 am
Bert
Compiling NWChem
DFT input parse error
Started By : Bk.ong
5 2839 Jul 10th 8:20 am
Bert
Running NWChem
Possible Bug in NWCHEM: TD-B97
Started By : TAR
6 2418 Jul 10th 8:11 am
Bert
General Topics
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