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Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 1404 Dec 3rd 4:06 pm
Edoapra
General Topics
Fukui directive does not work
Started By : Anewton
1 236 Nov 28th 10:15 am
Edoapra
Running NWChem
What features use Scalapack in NWChem
Started By : LonelySpooky
1 277 Nov 22nd 2:39 pm
Edoapra
Running NWChem
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
Started By : Xiongyan21
12 776 Nov 21st 9:47 pm
Xiongyan21
Compiling NWChem
CCSD(T) - error for scandium (quartet) energy calculation
Started By : Nothez
9 692 Nov 21st 7:32 am
Xiongyan21
Running NWChem
def2-QZVP basis set discrepancy in the BSE PNNL compared with the COSMOLOGIC basis set repository
Started By : Alexbalboa
1 320 Nov 16th 4:41 pm
Edoapra
General BSE Topics
Pr3+ ion SCF calculation using Stuttgart large core ECP gives 'atomscf' error
Started By : Sriram.gs.1987
2 362 Nov 8th 10:54 pm
Sriram.gs.1987
Running NWChem
BSSE/ghost atom calculations with DFT-D3
Started By : Snoop
2 351 Nov 8th 1:37 am
Snoop
Running NWChem
Different MPI, different "Max. records in file"
Started By : Jfredin
1 245 Nov 7th 11:17 am
Edoapra
Running NWChem
cvr_scaling bug in zcoord
Started By : Sandile5
1 243 Nov 6th 1:18 pm
Edoapra
General Topics
Difficulties uploading basis sets to the BSE
Started By : Aoterodelaroza
4 284 Nov 3rd 4:36 pm
Aoterodelaroza
General BSE Topics
Compile only TCE part in NWChem
Started By : Kaunlao
1 258 Nov 3rd 12:11 pm
Edoapra
Compiling NWChem
cosmoP.fh: No such file or directory
Started By : Azwaj11
1 290 Oct 26th 9:43 am
Edoapra
Compiling NWChem
sym_map: no match for 1000*op+atom
Started By : Douraku
2 414 Oct 18th 9:12 pm
Douraku
Running NWChem
Some energy difference between two input.
Started By : Lmihael
1 316 Oct 18th 6:03 pm
Edoapra
Running NWChem
Errors when calculating the frequencies
Started By : Cjinf0614
3 439 Sep 21st 9:58 am
Edoapra
Running NWChem
Reading charge density
Started By : Bikash
2 340 Sep 12th 9:05 am
Bikash
General Topics
Failure to compile NWChem with MPICH on CentOS
Started By : Rangsiman
11 807 Sep 11th 10:31 pm
Rangsiman
Compiling NWChem
TCE crashes when large number of virtuals is frozen
Started By : Jmargraf
2 313 Sep 9th 6:38 am
Jmargraf
Running NWChem
QA kinda failing
Started By : Cchang
5 345 Sep 8th 11:30 am
Edoapra
Compiling NWChem
ccCA code defect
Started By : Drhaney
1 619 Sep 7th 10:23 am
Edoapra
Feedback
bsse calculation problem:
Started By : Gumnaam
1 319 Sep 5th 6:10 pm
Edoapra
Running NWChem
How to uninstall NWChem from Mac?
Started By : Yipy0010
1 304 Sep 5th 3:44 pm
Edoapra
Compiling NWChem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 345 Aug 11th 1:05 pm
Gerardo
General Topics
Feature request: write entropy to RTDB
Started By : Drhaney
2 409 Aug 9th 7:43 pm
Drhaney
NWChem functionality
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