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Displaying 8 results for: Rangsiman Topics
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Thread Title Replies Views Last Action Forum
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 585 May 7th 8:22 am
Edoapra
NWChem functionality
Failed to compile NWChem 6.6 with MVAPICH2 on CentOS
Started By : Rangsiman
11 1643 Sep 11th 9:31 pm
Rangsiman
Compiling NWChem
Curious about specifying amount of memory for MPI.
Started By : Rangsiman
1 646 Jun 20th 3:34 am
Sean
Running NWChem
Is it possible to calculate excited state of molecule by using Constrained TD-DFT ?
Started By : Rangsiman
0 772 May 2nd 7:08 am
Rangsiman
NWChem functionality
Wondering about Unit conversion in RT-TDDFT
Started By : Rangsiman
2 891 Feb 4th 9:29 am
Rangsiman
General Topics
CDFT fails with error message "CDFT: Unable to improve the multipliers"
Started By : Rangsiman
1 895 Jan 20th 8:30 pm
Rangsiman
General Topics
How to fix the issue of error message "movecs_fragment: no. basis function mismatch" ?
Started By : Rangsiman
4 961 Jan 19th 6:33 pm
Rangsiman
General Topics
configure: error: test for ARMCI_NETWORK=OPENIB failed
Started By : Rangsiman
0 987 Dec 13th 4:44 am
Rangsiman
Compiling NWChem

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