| Thread Title |
Replies |
Views |
Last Action |
N-N Bond Fragmentation
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0 |
1947 |
Jan 19th 3:13 pm
Iromkingman |
implementation of 1e- and 2e-integrals
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1 |
1911 |
Jan 13th 2:56 pm
Mernst |
abelian symmetry check subroutine is lacking groups ..
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1 |
2780 |
Jan 8th 11:00 am
Edoapra |
H2 @ direct CCSD(T)/6-31G* fails
|
5 |
2805 |
Nov 29th 11:30 am
Drhaney |
NWChem 6.6 available for download
|
0 |
7541 |
Oct 20th 4:12 pm
Edoapra |
Beta version of NWChem 6.6 available for download
|
4 |
3264 |
Oct 9th 7:12 pm
Edoapra |
Possible error in TDDFT Gradient
|
6 |
2803 |
Aug 11th 10:03 am
Niri |
These are not the Hartrees you're looking for
|
0 |
1861 |
Jul 22nd 12:10 pm
Drhaney |
Correction: fundamental constants
|
0 |
2403 |
May 23rd 9:19 pm
Drhaney |
Imported python modules can't call nwchem functions
|
2 |
2273 |
May 19th 6:20 am
Drhaney |
How to contribute to NWChem?
|
1 |
2153 |
May 13th 3:56 pm
Edoapra |
URL structure for NWChem documentation
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2 |
2610 |
Mar 9th 10:13 am
Mernst |
documentation/testing
|
1 |
3173 |
Dec 23rd 12:47 pm
Rintontin |
why free quantum codes are so hard to settup?
|
2 |
2895 |
Dec 8th 11:17 am
Edoapra |
Support address bounceback
|
11 |
4162 |
Oct 16th 3:13 am
Mpacey |
Thank you for excellent free software!
|
0 |
2447 |
Oct 7th 2:25 pm
Mernst |