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Displaying 8 results for: Rangsiman Topics
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Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By :
Rangsiman
1
39
May 7th 9:22 am
Edoapra
NWChem functionality
Failure to compile NWChem with MPICH on CentOS
Started By :
Rangsiman
11
692
Sep 11th 10:31 pm
Rangsiman
Compiling NWChem
Curious about specifying amount of memory for MPI.
Started By :
Rangsiman
1
258
Jun 20th 4:34 am
Sean
Running NWChem
Is it possible to calculate excited state of molecule by using Constrained TD-DFT ?
Started By :
Rangsiman
0
337
May 2nd 8:08 am
Rangsiman
NWChem functionality
Wondering about Unit conversion in RT-TDDFT
Started By :
Rangsiman
2
433
Feb 4th 10:29 am
Rangsiman
General Topics
CDFT fails with error message "CDFT: Unable to improve the multipliers"
Started By :
Rangsiman
1
442
Jan 20th 9:30 pm
Rangsiman
General Topics
How to fix the issue of error message "movecs_fragment: no. basis function mismatch" ?
Started By :
Rangsiman
4
503
Jan 19th 7:33 pm
Rangsiman
General Topics
configure: error: test for ARMCI_NETWORK=OPENIB failed
Started By :
Rangsiman
0
511
Dec 13th 5:44 am
Rangsiman
Compiling NWChem
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