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Displaying 19 results for: Edoapra Posts
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DFT Projecting from a Small Basis into a Large Basis
Started By : Mkennedy8
1 2207 Mar 29th 9:08 am
Edoapra
Running NWChem
ARMCI error
Started By : Chloe
7 2911 Mar 1st 11:16 am
Bert
Running NWChem
Problems with B3LYP-D3 frequency calculation
Started By : Stigrs
2 4141 Mar 1st 7:10 am
Stigrs
Running NWChem
Error When Running DNTMC module
Started By : Wxu1024
5 1833 Feb 22nd 4:16 pm
Edoapra
Running NWChem
NWChem 6.1 linking problem
Started By : Marcindulak
7 5814 Feb 18th 4:59 am
Marcindulak
Compiling NWChem
PDCharges
Started By : P99
12 2788 Feb 17th 6:54 pm
Bert
General Topics
NWChem 6.1 scalapack compilation fails
Started By : Guest -
14 7131 Feb 17th 10:23 am
Edoapra
Compiling NWChem
COSMO convergence
Started By : P99
7 2620 Feb 16th 7:27 am
P99
General Topics
0:0:dai_write_param: filename too long::: 97
Started By : Jbaltrus
5 3047 Feb 12th 6:54 am
Jbaltrus
Running NWChem
contrib/python/Gnuplot.py incompatible with new pythons
Started By : Marcindulak
2 3488 Feb 10th 12:42 am
Marcindulak
Compiling NWChem
Segmentation Violation error for Cr2 PBE aug-cc-pvqz
Started By : Marcindulak
11 5181 Feb 9th 12:54 pm
Marcindulak
Running NWChem
I can't post in the compiling session
Started By : DavT
4 3448 Feb 9th 4:44 am
Marcindulak
General Topics
Linux workstation, MPI and QA tests
Started By : Ckoe
4 4899 Feb 9th 3:38 am
Ckoe
Compiling NWChem
nwchem 6.0: strange behaviour with input file argument
Started By : Ma t
3 2624 Feb 8th 1:40 am
Ma t
Running NWChem
Compiling with GotoBLAS2
Started By : Guest -
7 4491 Jan 30th 3:04 pm
Guest -
Compiling NWChem
convergence threshold affected by property calculation
Started By : Guest -
5 3110 Jan 25th 12:49 pm
Guest -
NWChem functionality
fxc: calc_type-l3d logic wrong
Started By : Guest -
3 2482 Jan 13th 6:03 pm
Edoapra
NWChem functionality
Grid for exchange-correlation functionals
Started By : Neil
2 2710 Nov 19th 1:42 am
Neil
Running NWChem
Lowdin population analysis
Started By : Cchang
13 5763 Oct 7th 3:32 pm
Cchang
NWChem functionality
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