| Thread Title |
Replies |
Views |
Last Action |
Can't submit to Compiling forum
|
7 |
3548 |
Jan 6th 1:55 pm
Marcindulak |
internal coordinates problem
|
5 |
7368 |
Dec 28th 2:04 pm
Bert |
restart problem
|
3 |
2232 |
Dec 22nd 3:25 pm
Bert |
how to get ecce output file after calculation
|
1 |
2125 |
Dec 22nd 3:22 pm
Bert |
How to get the bond vibrational frequency from the output file?
|
1 |
2433 |
Dec 22nd 3:20 pm
Bert |
reproducing data in restarting CPMD simulation
|
0 |
2440 |
Dec 12th 10:09 pm
Yshan |
point charges in zmatrix
|
1 |
1910 |
Dec 2nd 5:10 pm
Bert |
Spin-orbit
|
1 |
3151 |
Nov 21st 8:56 am
Niri |
PAW module problem
|
2 |
2155 |
Nov 16th 12:00 pm
Bmehuwei |
Vibrational analysis at CCSD level of theory
|
1 |
2874 |
Nov 11th 2:19 pm
Bert |
when will GPU version be released?
|
2 |
3327 |
Nov 10th 1:22 pm
Davide |
setting up and running mac binary
|
4 |
2771 |
Nov 4th 2:27 pm
Guest - |
Spin contamination
|
1 |
2149 |
Oct 25th 12:05 pm
Niri |
CAM-B3LYP
|
4 |
7422 |
Oct 24th 6:08 pm
Guest - |
DISPLAY: Undefined variable. (ECCE error)
|
7 |
14889 |
Oct 17th 6:49 am
Guest - |
Plane-wave pseudopotential library reference.
|
0 |
2233 |
Oct 10th 1:06 pm
Davis68 |
Development history/timeline of NWChem
|
1 |
2433 |
Oct 4th 1:30 pm
Bert |
QM/MM questions
|
0 |
3788 |
Sep 23rd 2:13 pm
Bug |
ZORA and ECP
|
1 |
2338 |
Sep 22nd 10:46 am
Bert |
units for linear response
|
2 |
2081 |
Sep 16th 3:50 pm
Niri |
tolerance in CPHF module
|
5 |
3596 |
Sep 16th 5:54 am
Guest - |
Convert NWChem output to GAMESS
|
1 |
2918 |
Sep 6th 9:39 am
Bert |
vacuo directive in MD
|
1 |
1848 |
Aug 26th 2:06 pm
Guest - |
metals with prepare
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0 |
1714 |
Aug 25th 5:28 am
Guest - |
Problem with "Save Preferences"
|
1 |
2049 |
Aug 19th 3:14 pm
Bert |