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Displaying 25 results for: Edoapra Posts
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Thread Title Replies Views Last Action Forum
cvr_scaling bug in zcoord
Started By : Sandile5
1 311 Nov 6th 1:18 pm
Edoapra
General Topics
Difficulties uploading basis sets to the BSE
Started By : Aoterodelaroza
4 357 Nov 3rd 4:36 pm
Aoterodelaroza
General BSE Topics
Compile only TCE part in NWChem
Started By : Kaunlao
1 305 Nov 3rd 12:11 pm
Edoapra
Compiling NWChem
cosmoP.fh: No such file or directory
Started By : Azwaj11
1 344 Oct 26th 9:43 am
Edoapra
Compiling NWChem
sym_map: no match for 1000*op+atom
Started By : Douraku
2 513 Oct 18th 9:12 pm
Douraku
Running NWChem
Some energy difference between two input.
Started By : Lmihael
1 366 Oct 18th 6:03 pm
Edoapra
Running NWChem
Errors when calculating the frequencies
Started By : Cjinf0614
3 500 Sep 21st 9:58 am
Edoapra
Running NWChem
Reading charge density
Started By : Bikash
2 406 Sep 12th 9:05 am
Bikash
General Topics
Failure to compile NWChem with MPICH on CentOS
Started By : Rangsiman
11 913 Sep 11th 10:31 pm
Rangsiman
Compiling NWChem
TCE crashes when large number of virtuals is frozen
Started By : Jmargraf
2 368 Sep 9th 6:38 am
Jmargraf
Running NWChem
QA kinda failing
Started By : Cchang
5 413 Sep 8th 11:30 am
Edoapra
Compiling NWChem
ccCA code defect
Started By : Drhaney
1 710 Sep 7th 10:23 am
Edoapra
Feedback
bsse calculation problem:
Started By : Gumnaam
1 375 Sep 5th 6:10 pm
Edoapra
Running NWChem
How to uninstall NWChem from Mac?
Started By : Yipy0010
1 378 Sep 5th 3:44 pm
Edoapra
Compiling NWChem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 396 Aug 11th 1:05 pm
Gerardo
General Topics
Feature request: write entropy to RTDB
Started By : Drhaney
2 465 Aug 9th 7:43 pm
Drhaney
NWChem functionality
win32
Started By : P99
15 637 Aug 4th 12:11 pm
P99
Compiling NWChem
Using Tau Profiler with Intel fortran
Started By : Mmadrid
2 470 Jul 31st 2:09 pm
Mmadrid
Compiling NWChem
Pople 2d basis sets
Started By : Niki
2 487 Jul 27th 9:52 am
Niki
General BSE Topics
Compilation on Mac OS X
Started By : Driesvr
8 1418 Jul 26th 4:30 am
Mgreuter
Compiling NWChem
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 635 Jul 14th 7:13 pm
Xiongyan21
General Topics
Basis Set Exchange website can't be opened
Started By : Anyeyu
2 396 Jun 28th 11:36 am
Edoapra
Feedback
Multi-node DFT convergence problem
Started By : Frank90
6 752 Jun 28th 2:57 am
Frank90
Running NWChem
Compile NWChem with Intel 2017 (MPI + MKL)
Started By : Cyberwolf
4 1836 Jun 23rd 11:45 am
Cyberwolf
Compiling NWChem
How to improve the speed of dft optimization of Cu in ecp model
Started By : Liuwanqi
4 564 Jun 23rd 2:25 am
Liuwanqi
Running NWChem
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