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Two bugs affecting ZMATRIX directive
Started By : Marcof
2 533 May 13th 1:36 am
Marcof
General Topics
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 1815 May 12th 8:52 pm
Vladimir
Compiling NWChem
problem with compilation
Started By : Anny
5 478 May 11th 11:10 am
Edoapra
General Topics
How is HOMO-LUMO gap value calculated?
Started By : Rookiequeen
1 413 May 11th 11:04 am
Edoapra
General Topics
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 481 Apr 29th 5:47 pm
Alarcj
Running NWChem
Making movies with rasmolmovie
Started By : Alarcj
1 545 Apr 25th 12:00 pm
Edoapra
Running NWChem
Raman and vibrational modes
Started By : Alarcj
1 461 Apr 25th 11:52 am
Edoapra
Running NWChem
Bug in Raman code: How to patch?
Started By : Alarcj
1 591 Apr 25th 11:48 am
Edoapra
Compiling NWChem
unknown SCFTYPE error
Started By : Neo
1 547 Apr 14th 12:38 pm
Edoapra
General Topics
convergence fails during mp2 calculations
Started By : Neo
2 556 Apr 10th 11:10 pm
Neo
General Topics
CCSD geometry optimization on the BSSE corrected surface!
Started By : Chemje
7 609 Apr 1st 9:17 am
Chemje
Running NWChem
error running nwchem_openmpi in parallel
Started By : Rasmus
2 3342 Mar 31st 1:34 am
Rasmus
Running NWChem
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
Started By : Satvinder singh
3 2389 Mar 30th 1:19 pm
Edoapra
Running NWChem
compiling conflict
Started By : Rasmus
2 679 Mar 30th 5:48 am
Rasmus
Compiling NWChem
Minnesota density functionals crash w/NWXC and shielding properties
Started By : Mernst
1 1499 Mar 16th 6:43 pm
Edoapra
Running NWChem
ZORA fails with external point charges
Started By : Jacekj
1 541 Mar 4th 12:24 pm
Edoapra
Running NWChem
Segmentation Fault
Started By : Bikash
6 844 Feb 26th 6:37 pm
Bikash
Running NWChem
FASTESP
Started By : P99
1 667 Feb 25th 11:59 am
Edoapra
General Topics
6.6 cosmo segmentation violation
Started By : Ivo
6 778 Feb 22nd 9:12 am
Ivo
Running NWChem
Junk.xxx files keep rewriting
Started By : Olanky
4 827 Feb 19th 8:42 am
Olanky
Running NWChem
Cuda compiling1 2
Started By : KAZat
21 2647 Feb 18th 1:23 am
KAZat
Compiling NWChem
Raman - no failure report without damping
Started By : Manfred
8 1229 Feb 17th 5:11 pm
Manfred
Running NWChem
(Solved) Energy increases with task dft optimize
Started By : Dongsunyoo
2 583 Feb 16th 5:46 pm
Dongsunyoo
Running NWChem
Windows 7 64-bit install
Started By : Craigwb
3 1675 Feb 15th 1:18 pm
Edoapra
Compiling NWChem
Error: Function `GA_MPI_Comm_pgroup_default' implicitly converted to pointer at util_getppn.c:45
Started By : Mbanck
2 1098 Feb 15th 11:47 am
Edoapra
Compiling NWChem
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