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Displaying 16 results for: Ohlincha Topics
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Thread Title Replies Views Last Action Forum
ecce.out only contains guess energy levels
Started By : Ohlincha
1 232 Nov 22nd 3:42 am
Ohlincha
NWChem functionality
Energy decomposition analysis
Started By : Ohlincha
0 634 Aug 23rd 5:55 am
Ohlincha
NWChem functionality
Community development of ECCE -- it's happening (slowly)
Started By : Ohlincha
1 1219 Jun 19th 6:40 am
Ohlincha
General ECCE Topics
ECCE on debian jessie (current stable)
Started By : Ohlincha
1 2189 Jun 5th 6:14 pm
Mernst
General ECCE Topics
Issue with pspw using nwchem 6.3 on AMD Bulldozer -- bug in nwchem 6.3?
Started By : Ohlincha
6 3182 Sep 16th 6:04 pm
Ohlincha
Compiling NWChem
Two patches for ECCE/Gaussian 09
Started By : Ohlincha
3 2931 Feb 7th 5:37 am
Ohlincha
General ECCE Topics
contrib/python: scan_input() -- relationship between reported and actual geometries?
Started By : Ohlincha
2 3464 Aug 29th 4:23 pm
Ohlincha
Running NWChem
Default rsolv value in nwchem 6.3 vs earlier versions
Started By : Ohlincha
3 2056 Jul 30th 3:56 pm
Ohlincha
Running NWChem
Adding new basis sets to the ECCE basis set tool
Started By : Ohlincha
4 3222 Jun 28th 12:40 am
Ohlincha
General ECCE Topics
Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1
Started By : Ohlincha
11 16001 May 22nd 8:34 pm
Ohlincha
Compiling NWChem
Solved:Minor bug- cut/paste turns into copy/paste in the ECCE organizer if moving up in the dir hier
Started By : Ohlincha
3 3304 Feb 21st 12:18 pm
Gary
General ECCE Topics
Solved: Problems with tcsh /csh syntax for long $PATH -- potential fix
Started By : Ohlincha
10 21909 Feb 12th 1:13 pm
Gary
General ECCE Topics
Solved: Minor bug: hand-edited changes to nwch.nw lost under certain conditions
Started By : Ohlincha
5 2761 Jan 31st 1:29 pm
Ohlincha
General ECCE Topics
Wilson-Amos-Handy method for calculation of NMR shifts
Started By : Ohlincha
14 4072 Nov 26th 8:48 pm
Ohlincha
NWChem functionality
Solved: ECCE using non-standard ssh ports -- port redirection.
Started By : Ohlincha
10 9314 Jun 1st 3:17 pm
Ohlincha
General ECCE Topics
ECCE launches five processes per job: hitting ulimit.
Started By : Ohlincha
2 2124 May 30th 4:04 pm
Ohlincha
General ECCE Topics

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