General Topics

Announcement's	Replies	Views	Last Action
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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Thread Title	Replies	Views	Last Action
"sym_movecs_adapt: no significant component?" Error	7	3414	Nov 25th 12:26 am Goranka
strange BSSE energy	1	1535	Nov 18th 8:19 am Bert
Problem in posting on "Running NWCHEM"	1	1586	Nov 14th 2:34 pm Bert
NWCHEM training	1	2000	Nov 14th 12:28 pm Huub
The charge of a certain atom could be set deliberately?	2	1566	Nov 10th 11:18 pm Cwlzju
Question about the application	4	1821	Nov 7th 2:48 pm Dhaminah
Output eigenvectors/eigenfunctions in band calculations.	1	1958	Nov 6th 4:50 pm Bylaska
PDOS for clusters	3	3134	Nov 6th 10:50 am Edoapra
ecce error: Parent project selection for import not recognized.	2	2185	Nov 1st 11:51 am Himadride
Can NWChem source file be downloaded?	1	2171	Oct 24th 8:25 pm Edoapra
How to plot CD spectra ?	1	2381	Oct 16th 10:44 pm Niri
Loading the initial geometry from a pdb	1	2710	Oct 11th 2:49 pm Marat
NWChem Efficiency	4	3445	Oct 5th 12:16 pm Mef362
LOAD directive to external xyz file	3	2854	Oct 5th 8:46 am Edoapra
NBO analysis and NWCHEM	1	2469	Oct 3rd 11:13 am Bert
actlist	3	1911	Oct 2nd 4:49 pm Niri
NMR NICS	4	4710	Oct 1st 1:38 pm Bert
Solving for extra Excited States	1	1995	Oct 1st 11:57 am Karol
Partial charges outside of the atoms center	7	3883	Sep 28th 12:46 pm Bert
CC optimization and structure retrieval	1	1842	Sep 24th 3:44 pm Bert
Bond Dissociation Energy	1	2347	Sep 18th 2:14 pm Bert
Draw electrostatic potential plot using NWCHEM	1	2719	Sep 17th 3:49 pm Edoapra
How can I get the final optimized coordinate PDB file after molecular mechanics optimization?	1	2481	Sep 12th 3:10 pm Tps
Output generated from ' print "final vectors analysis" ' does not appear to be normalised	1	2051	Sep 7th 4:23 pm Edoapra
Internal Coordinates	3	2583	Sep 5th 2:07 pm Bert

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