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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1004 Dec 14th 2:51 pm
Edoapra

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vdW parameter unit for NWCHEM
Started By : Yt82
1 1893 Aug 2nd 5:00 pm
Bert
nwchem hangs before dft scf
Started By : Pvallett
2 2095 Aug 2nd 4:52 pm
Bert
Ionization potential of Pd using ECP28MDF
Started By : Brynetan
4 2437 Jul 21st 7:47 pm
Brynetan
qmmm free energies
Started By : Guest -
3 2122 Jul 20th 5:38 pm
Marat
what is the unit of "oscillator strength"
Started By : Guest -
1 6386 Jul 7th 12:16 pm
Guest -
"too many files open" error
Started By : Matrix2010
1 2698 Jul 6th 3:14 pm
Bert
ROMP2 calculation
Started By : Guest -
1 2150 Jul 6th 3:10 pm
Bert
read basis set
Started By : Guest -
3 3186 Jul 6th 3:07 pm
Bert
QM/MM with no MM parameters
Started By : TeoT
2 1753 Jul 1st 12:39 am
TeoT
Calculating Energies and Enthalpies
Started By : Guest -
1 5387 Jun 28th 10:23 am
Guest -
ECP60MDF
Started By : Brynetan
7 4545 Jun 22nd 2:17 pm
Guest -
Question about ONIOM/QMMM
Started By : Guest -
0 1872 Jun 21st 2:35 pm
Guest -
qmmm dynamics
Started By : Guest -
3 1855 Jun 17th 10:21 pm
Guest -
How to convert AMBER(xleap) format atom name to NW amber format
Started By : Xiaosy567
1 3039 Jun 17th 9:20 am
Marat
qmmm free energies
Started By : Guest -
3 1933 Jun 13th 9:36 am
Guest -
SODFT frequencies
Started By : Guest -
1 2161 Jun 8th 5:35 pm
Niri
Question about qmmm calcualtions
Started By : Yt82
1 1725 Jun 1st 11:44 am
Marat
Starting a thread
Started By : Apacheco
7 3099 May 11th 1:55 pm
Bert
how to generate .cube files at the multiple iterations
Started By : Guest -
2 2475 May 5th 1:25 pm
Bert
BSSE issue: atoms with ecp basis
Started By : Guest -
1 2732 Apr 22nd 4:58 pm
Bert
point charges
Started By : Guest -
2 2694 Apr 18th 3:53 pm
Niri
How to add a new density funcional?
Started By : Guest -
2 2160 Apr 18th 3:51 pm
Niri
SVN Access
Started By : Guest -
1 2138 Apr 14th 10:51 am
Bert
Hello
Started By : Yazan
1 2236 Mar 24th 12:11 pm
Guest -
libraries/lanl2dzdp_ecp change between 5.1.1 and 6.0
Started By : Guest -
1 2553 Feb 21st 8:57 am
Guest -
pyhon in nwchem
Started By : Torstefj
1 2365 Feb 7th 2:44 pm
Bert

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