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Updating Python examples:
Started By : Davis68
1 1920 Nov 13th 12:59 pm
Edoapra
NWChem functionality
MA fatal error: MA_sizeof: invalid datatype
Started By : Davis68
2 4044 Jun 19th 6:37 pm
Davis68
Compiling NWChem
Bulk modulus.
Started By : Davis68
2 2135 Feb 1st 7:18 am
Davis68
NWChem functionality
ZORA/SOC/Spin_Orbit PSP?
Started By : Davis68
0 2270 Jan 31st 12:56 pm
Davis68
NWChem functionality
(SOLVED) Loading a (buggy?) geometry.
Started By : Davis68
2 2249 Dec 5th 9:10 am
Davis68
Running NWChem
Band structure zero energy.
Started By : Davis68
0 1981 Nov 12th 12:41 pm
Davis68
NWChem functionality
SOLVED PDOS f electron state density zero.
Started By : Davis68
3 2770 Oct 9th 6:21 am
Davis68
Running NWChem
Atoms missing from the geometry.
Started By : Davis68
10 3962 Aug 22nd 5:09 pm
Bylaska
Running NWChem
Cmcm geometry failure after one energy calculation.
Started By : Davis68
1 2510 Aug 21st 2:00 pm
Bylaska
NWChem functionality
SODFT tutorial example failure.
Started By : Davis68
3 2419 Jun 11th 1:09 pm
Bert
Running NWChem
PAW U basis set.
Started By : Davis68
0 1882 Jun 1st 7:59 am
Davis68
NWChem functionality
Compiling for MPI.
Started By : Davis68
6 5703 Dec 28th 3:58 pm
Davis68
Compiling NWChem
file_prefix: insufficient space 30 error.
Started By : Davis68
2 2527 Nov 3rd 3:36 am
Davis68
Running NWChem
Plane-wave pseudopotential library reference.
Started By : Davis68
0 2133 Oct 10th 12:06 pm
Davis68
General Topics
Linking Global Array on PPC64
Started By : Davis68
1 3072 Mar 2nd 10:59 am
Bert
Compiling NWChem

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