(770) Search Results

From NWChem

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

Thread Title Replies Views Last Action Forum
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
Started By : Srhhh
1 15 Jun 19th 9:47 am
Edoapra
Running NWChem
Error in compiliation on GPU
Started By : Prasanthi
1 74 Jun 18th 3:54 pm
Edoapra
Compiling NWChem
About the calculation1
Started By : Greatqi
3 30 Jun 13th 11:10 am
Edoapra
Running NWChem
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
6 63 Jun 7th 10:48 am
Edoapra
Feedback
Error when compiling NWchem 6.8
Started By : Belliger
1 79 Jun 4th 10:35 am
Edoapra
Compiling NWChem
Dummy atoms directive in NWChem
Started By : Neo
6 132 May 10th 11:03 pm
Neo
Running NWChem
How to download old versions of NWCHEM?
Started By : Xinyma
3 87 May 10th 6:53 pm
CatrionaLozano52
General Topics
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 76 May 7th 9:22 am
Edoapra
NWChem functionality
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 64 May 5th 5:44 am
Marcel
Running NWChem
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
2 119 May 4th 12:25 am
Xiongyan21
NWChem functionality
Grid specification for dummy atoms
Started By : Bmoore17
3 2222 May 3rd 10:34 pm
Neo
NWChem functionality
Problem in CRENBL ECP (Iron) data in EMSL
Started By : Hideo
3 92 Apr 30th 1:44 am
Hideo
General BSE Topics
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 201 Apr 26th 5:10 am
Sean
Running NWChem
Compiling NWChem 6.8.1 on ARCHER using Intel
Started By : Gh3orghiu
5 108 Apr 25th 10:58 am
Gh3orghiu
Compiling NWChem
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 85 Apr 22nd 3:22 pm
Xinyma
General Topics
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 126 Apr 20th 9:52 am
EmilioMac
General Topics
4c integrals
Started By : Mdvorak
1 64 Apr 18th 10:38 am
Edoapra
NWChem functionality
A request for help1 2
Started By : Jason York
19 2597 Apr 16th 4:50 pm
4rhanes
Compiling NWChem
ANO-RCC basis set for Yb
Started By : EmilioMac
3 206 Apr 4th 7:30 am
EmilioMac
General Topics
sample qmd input from nwchem official page does not work
Started By : Jtrkiller2018
3 125 Apr 3rd 10:01 am
Edoapra
Running NWChem
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
Started By : Jskennyu
1 193 Apr 2nd 10:01 am
Edoapra
Compiling NWChem
Problems running NWChem 6.5
Started By : Giaccai
2 143 Apr 2nd 7:07 am
Giaccai
Running NWChem
Units of DPLOT Cube Output
Started By : Philly GT
1 88 Mar 30th 9:47 am
Edoapra
NWChem functionality
Testing NWChem installation for correctness
Started By : Luiceur
4 292 Mar 29th 7:45 am
Chrisn77
Compiling NWChem
Sulfur Correlation Consistent Inconsistencies
Started By : JonathonM.
2 165 Mar 29th 5:52 am
JonathonM.
General BSE Topics
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