(695) Search Results

From NWChem

Displaying 25 results for: Edoapra Posts
Jump to: navigation, search

Thread Title Replies Views Last Action Forum
sym_map: no match for 1000*op+atom
Started By : Douraku
2 36 Oct 18th 9:12 pm
Douraku
Running NWChem
Some energy difference between two input.
Started By : Lmihael
1 23 Oct 18th 6:03 pm
Edoapra
Running NWChem
windows 10 64
Started By : P99
4 25 Oct 16th 11:33 am
P99
Compiling NWChem
Errors when calculating the frequencies
Started By : Cjinf0614
3 77 Sep 21st 9:58 am
Edoapra
Running NWChem
Reading charge density
Started By : Bikash
2 77 Sep 12th 9:05 am
Bikash
General Topics
Failure to compile NWChem with MPICH on CentOS
Started By : Rangsiman
11 143 Sep 11th 10:31 pm
Rangsiman
Compiling NWChem
Convergence problems with Au cluster1 2
Started By : Alessandro.chiesa
17 1702 Sep 9th 8:06 pm
Xiongyan21
Running NWChem
TCE crashes when large number of virtuals is frozen
Started By : Jmargraf
2 58 Sep 9th 6:38 am
Jmargraf
Running NWChem
QA kinda failing
Started By : Cchang
5 78 Sep 8th 11:30 am
Edoapra
Compiling NWChem
ccCA code defect
Started By : Drhaney
1 75 Sep 7th 10:23 am
Edoapra
Feedback
bsse calculation problem:
Started By : Gumnaam
1 77 Sep 5th 6:10 pm
Edoapra
Running NWChem
How to uninstall NWChem from Mac?
Started By : Yipy0010
1 50 Sep 5th 3:44 pm
Edoapra
Compiling NWChem
A request for help1 2
Started By : Jason York
18 1007 Aug 20th 5:53 am
Dathan87
Compiling NWChem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 71 Aug 14th 4:01 pm
Gerardo
General Topics
Feature request: write entropy to RTDB
Started By : Drhaney
2 84 Aug 9th 7:43 pm
Drhaney
NWChem functionality
win32
Started By : P99
15 160 Aug 4th 12:11 pm
P99
Compiling NWChem
Using Tau Profiler with Intel fortran
Started By : Mmadrid
2 90 Jul 31st 2:09 pm
Mmadrid
Compiling NWChem
Pople 2d basis sets
Started By : Niki
2 77 Jul 27th 9:52 am
Niki
General BSE Topics
Compilation on Mac OS X
Started By : Driesvr
8 503 Jul 26th 4:30 am
Mgreuter
Compiling NWChem
Basis Set Exchange website can't be opened
Started By : Anyeyu
2 103 Jun 28th 11:36 am
Edoapra
Feedback
Multi-node DFT convergence problem
Started By : Frank90
6 203 Jun 28th 2:57 am
Frank90
Running NWChem
Compile NWChem with Intel 2017 (MPI + MKL)
Started By : Cyberwolf
4 335 Jun 23rd 11:45 am
Cyberwolf
Compiling NWChem
How to improve the speed of dft optimization of Cu in ecp model
Started By : Liuwanqi
4 178 Jun 23rd 2:25 am
Liuwanqi
Running NWChem
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 137 Jun 15th 10:13 am
Bikash Patra
General Topics
Ability to control number and orientation of unpaired spins on individual atoms?
Started By : Benderwm
4 131 Jun 12th 1:12 pm
Benderwm
Running NWChem
Jump to page 12345678Next 25Last

Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC