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SCS-CCSD is bogus on restart
Started By : Jhammond
2 618 Jan 25th 1:54 pm
Jhammond
General Topics
NWChem 6.6 and OS X El Capitan1 2
Started By : 58607
16 4673 Jan 25th 9:42 am
58607
Compiling NWChem
Wrong format for small values in cube files created by dplot
Started By : Futofuji
4 1091 Jan 22nd 12:01 pm
Futofuji
Running NWChem
Different basis sets for the same atoms/molecules
Started By : Lamberts
1 525 Jan 22nd 9:58 am
Edoapra
General Topics
Similar compilation problems NWChem-6.6
Started By : Proteindj
13 1985 Jan 22nd 7:36 am
Proteindj
Compiling NWChem
int/Integer argument type mismatch inside peigs is causing segmentation fault
Started By : Bvoigt
6 858 Jan 21st 10:11 am
Bvoigt
Compiling NWChem
configure: error: f2c string convention is neither after args nor after string
Started By : Ylniu
1 659 Jan 21st 9:29 am
Edoapra
Compiling NWChem
running problem in windows 10
Started By : Abhay ms
1 678 Jan 20th 11:57 am
Edoapra
Running NWChem
antiferromagnetic coupling
Started By : Sebetci
3 726 Jan 15th 7:03 am
YALDA88
General Topics
nwchem-6.6 ifort, segmentation fault1 2
Started By : Sbbfifa
16 5139 Jan 13th 1:19 pm
Sbbfifa
Compiling NWChem
NaN energies in DFT calculation with M06 family of functionals
Started By : Buchwj
2 1193 Jan 13th 11:59 am
Buchwj
Running NWChem
NWchem-6.5 compilation: Segmentation fault
Started By : Anastasia.phys
4 1180 Jan 13th 2:17 am
Anastasia.phys
Compiling NWChem
abelian symmetry check subroutine is lacking groups ..
Started By : Jaapkroe
1 1321 Jan 8th 10:00 am
Edoapra
Feedback
Unexplained termination of NWChem job
Started By : Socion
1 705 Jan 6th 1:45 pm
Edoapra
Running NWChem
undefined symbols for architecture x86/64
Started By : LJ
2 813 Dec 31st 11:26 am
LJ
Compiling NWChem
Basis set descriptions disappeared
Started By : Grandrienko
1 1259 Dec 27th 4:55 am
Grandrienko
General BSE Topics
NWChem 6.6/CentOS 7 compile fails
Started By : Jwkeller
14 2968 Dec 21st 8:50 pm
Frankenstein
Compiling NWChem
Compiling NWChem 6.6 on openSUSE42.11 2
Started By : Frankenstein
16 2954 Dec 18th 12:12 pm
Frankenstein
Compiling NWChem
DFT quadratic convergence criteria
Started By : Buchwj
2 789 Dec 15th 6:45 pm
Buchwj
Running NWChem
General Convergence Issues with NWChem
Started By : Bmatson
4 1095 Dec 15th 1:06 pm
Bmatson
Running NWChem
Raman Calculation Crashes
Started By : Sutton101
4 688 Dec 14th 4:04 pm
Sutton101
Running NWChem
Convergence problem with tiny molecule
Started By : Acorreya
5 1266 Dec 12th 12:29 am
Xiongyan21
Running NWChem
Wall time vs CPU time
Started By : Frank.ramirez
8 922 Dec 10th 9:17 am
Frank.ramirez
General Topics
COSMO_Intialize: goem_cart_get_failed.
Started By : Bmatson
2 1117 Dec 9th 7:21 pm
Edoapra
NWChem functionality
compilation problem with nwchem-rev26871.2015-02-24
Started By : Jtravers
5 1790 Dec 9th 9:29 am
Edoapra
Compiling NWChem
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