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Failure to compile NWChem with MPICH on CentOS
Started By : Rangsiman
11 471 Sep 11th 9:31 pm
Rangsiman
Compiling NWChem
Convergence problems with Au cluster1 2
Started By : Alessandro.chiesa
17 2153 Sep 9th 7:06 pm
Xiongyan21
Running NWChem
TCE crashes when large number of virtuals is frozen
Started By : Jmargraf
2 92 Sep 9th 5:38 am
Jmargraf
Running NWChem
QA kinda failing
Started By : Cchang
5 126 Sep 8th 10:30 am
Edoapra
Compiling NWChem
ccCA code defect
Started By : Drhaney
1 166 Sep 7th 9:23 am
Edoapra
Feedback
bsse calculation problem:
Started By : Gumnaam
1 138 Sep 5th 5:10 pm
Edoapra
Running NWChem
How to uninstall NWChem from Mac?
Started By : Yipy0010
1 95 Sep 5th 2:44 pm
Edoapra
Compiling NWChem
A request for help1 2
Started By : Jason York
18 1263 Aug 20th 4:53 am
Dathan87
Compiling NWChem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 122 Aug 11th 12:05 pm
Gerardo
General Topics
Feature request: write entropy to RTDB
Started By : Drhaney
2 139 Aug 9th 6:43 pm
Drhaney
NWChem functionality
win32
Started By : P99
15 210 Aug 4th 11:11 am
P99
Compiling NWChem
Using Tau Profiler with Intel fortran
Started By : Mmadrid
2 150 Jul 31st 1:09 pm
Mmadrid
Compiling NWChem
Pople 2d basis sets
Started By : Niki
2 137 Jul 27th 8:52 am
Niki
General BSE Topics
Compilation on Mac OS X
Started By : Driesvr
8 663 Jul 26th 3:30 am
Mgreuter
Compiling NWChem
Basis Set Exchange website can't be opened
Started By : Anyeyu
2 142 Jun 28th 10:36 am
Edoapra
Feedback
Multi-node DFT convergence problem
Started By : Frank90
6 295 Jun 28th 1:57 am
Frank90
Running NWChem
Compile NWChem with Intel 2017 (MPI + MKL)
Started By : Cyberwolf
4 447 Jun 23rd 10:45 am
Cyberwolf
Compiling NWChem
How to improve the speed of dft optimization of Cu in ecp model
Started By : Liuwanqi
4 216 Jun 23rd 1:25 am
Liuwanqi
Running NWChem
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 166 Jun 15th 9:13 am
Bikash Patra
General Topics
Ability to control number and orientation of unpaired spins on individual atoms?
Started By : Benderwm
4 169 Jun 12th 12:12 pm
Benderwm
Running NWChem
number of correlated electrons
Started By : Caoz
3 237 Jun 8th 2:11 am
Caoz
General Topics
A error about convergence criteria in ecp calculation
Started By : Liuwanqi
2 256 May 31st 6:21 pm
Liuwanqi
Running NWChem
Pople basis sets in NWChem 6.6
Started By : Mintmire
4 363 May 24th 11:12 am
Mintmire
General BSE Topics
Problem with downloading patch HFmke.patch.gz
Started By : Swsides
1 208 May 22nd 1:25 pm
Edoapra
Compiling NWChem
Undefined references for nwchem6.6 on ubuntu 16.04
Started By : Jhelfferich
2 356 Apr 25th 9:07 pm
Jhelfferich
Compiling NWChem
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