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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dynamical reaction coordinate
1 2292 Dec 17th 6:08 pm
Bert
Charge density map problem
1 2523 Dec 17th 12:24 pm
Bert
Grid file results question
2 2982 Nov 30th 11:09 am
Huub
Grid number question
1 1992 Nov 30th 2:24 am
Lmyiop
ESP module source code questions
2 2687 Nov 29th 10:41 am
Huub
NWCHEM esp plt file format
1 2344 Nov 28th 10:32 am
Bert
Convert the nwchem ESP plt file to the Gaussian cube file
1 2220 Nov 28th 10:27 am
Bert
the charge could set to be minus value?
1 1497 Nov 26th 10:24 am
Bert
Waht does the "cdft 1 2 charge 1.0" mean?
1 1588 Nov 26th 10:22 am
Bert
"sym_movecs_adapt: no significant component?" Error
7 3411 Nov 25th 12:26 am
Goranka
strange BSSE energy
1 1532 Nov 18th 8:19 am
Bert
Problem in posting on "Running NWCHEM"
1 1583 Nov 14th 2:34 pm
Bert
NWCHEM training
1 1997 Nov 14th 12:28 pm
Huub
The charge of a certain atom could be set deliberately?
2 1563 Nov 10th 11:18 pm
Cwlzju
Question about the application
4 1818 Nov 7th 2:48 pm
Dhaminah
Output eigenvectors/eigenfunctions in band calculations.
1 1955 Nov 6th 4:50 pm
Bylaska
PDOS for clusters
3 3131 Nov 6th 10:50 am
Edoapra
ecce error: Parent project selection for import not recognized.
2 2182 Nov 1st 11:51 am
Himadride
Can NWChem source file be downloaded?
1 2168 Oct 24th 8:25 pm
Edoapra
How to plot CD spectra ?
1 2378 Oct 16th 10:44 pm
Niri
Loading the initial geometry from a pdb
1 2707 Oct 11th 2:49 pm
Marat
NWChem Efficiency
4 3442 Oct 5th 12:16 pm
Mef362
LOAD directive to external xyz file
3 2851 Oct 5th 8:46 am
Edoapra
NBO analysis and NWCHEM
1 2466 Oct 3rd 11:13 am
Bert
actlist
3 1908 Oct 2nd 4:49 pm
Niri
NMR NICS
4 4707 Oct 1st 1:38 pm
Bert

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