General Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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task_gradient failed
1 2139 Apr 23rd 3:55 pm
Edoapra
B2-LYP
3 1988 Apr 20th 7:51 am
P99
Lowdin population analysis in CCSD calculation
0 1509 Apr 18th 7:55 am
Mahbub03
META NWChem Website Fixed Width Layout
2 1283 Apr 16th 5:45 am
Exbuhe
which would be the optimal hardware for future Nwchem versions ?
2 1349 Apr 12th 6:47 am
Edrisse.chermak
CDFT constain charge for help
2 2051 Apr 10th 11:13 pm
Tfliu
Two Molecule System Doesn't Optimize
1 1704 Apr 8th 7:39 pm
Huub
Fortran runtime error: Bad value during floating point read
1 12863 Apr 8th 7:28 pm
Huub
APPLICATION TERMINATED WITH THE EXIT STRING....
1 4261 Apr 8th 7:11 pm
Huub
Understanding Numerical Gradients with TD-DFT
1 1887 Apr 8th 6:39 pm
Huub
RESP example??
1 1816 Apr 8th 6:31 pm
Huub
HOMO-LUMO gap in Aun
1 2150 Apr 8th 6:27 pm
Huub
run frozen or is it normal
1 1349 Apr 8th 6:05 pm
Huub
SARC-ZORA @ nwchem 6.0
1 1742 Apr 8th 5:59 pm
Huub
how to put a charge in a certain atom
1 1584 Apr 8th 5:37 pm
Huub
failed convergance for a single atom
1 2059 Apr 8th 5:27 pm
Huub
molecular orbitals
3 1567 Apr 4th 1:36 pm
Sujitha
Numerical result out of range
0 2613 Mar 27th 1:20 pm
Aggie2015
NWCHEMRATE
0 1409 Mar 25th 1:14 pm
Manu nwchem
NWChem 6.3 GPU support
1 5230 Mar 24th 12:32 pm
Edoapra
Cannot post to ECCE forum
1 1265 Mar 19th 12:17 pm
WillEverett
All-Electron calculation for Gold
2 2562 Mar 19th 12:52 am
Elvis
dummy charge for help
1 1533 Mar 18th 5:23 pm
Tfliu
ET model for help
5 1647 Mar 17th 5:06 pm
Tfliu
run spherical atom with evenly distributed valence electron
1 2231 Mar 14th 2:07 pm
Edoapra

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