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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2066 Dec 14th 1:51 pm
Edoapra

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units for linear response
Started By : Guest -
2 1877 Sep 16th 2:50 pm
Niri
tolerance in CPHF module
Started By : Guest -
5 3287 Sep 16th 4:54 am
Guest -
Convert NWChem output to GAMESS
Started By : Alessandro.chiesa
1 2467 Sep 6th 8:39 am
Bert
vacuo directive in MD
Started By : Guest -
1 1679 Aug 26th 1:06 pm
Guest -
metals with prepare
Started By : Guest -
0 1523 Aug 25th 4:28 am
Guest -
Problem with "Save Preferences"
Started By : HUWagner
1 1839 Aug 19th 2:14 pm
Bert
Dimension msa too small
Started By : Guest -
1 2183 Aug 19th 2:05 pm
Bert
run DFT using ROHF wavefunctions
Started By : Guest -
1 2447 Aug 18th 5:16 am
Niri
Installing ECCE Client
Started By : Guest -
1 2090 Aug 16th 12:55 pm
Bert
How/where can I get a pdf copy of the user' manual/programmer's guide for NWChem 6.0
Started By : Guest -
1 2429 Aug 2nd 4:03 pm
Bert
Excited state calculation
Started By : Rand
2 1915 Aug 2nd 4:03 pm
Niri
eastimaed standard error in QM/MM free energy perturbation method
Started By : Guest -
1 2515 Aug 2nd 4:02 pm
Bert
to generate topology file for qmmm
Started By : Guest -
2 2051 Aug 2nd 4:01 pm
Bert
vdW parameter unit for NWCHEM
Started By : Yt82
1 1984 Aug 2nd 4:00 pm
Bert
nwchem hangs before dft scf
Started By : Pvallett
2 2224 Aug 2nd 3:52 pm
Bert
Ionization potential of Pd using ECP28MDF
Started By : Brynetan
4 2541 Jul 21st 6:47 pm
Brynetan
qmmm free energies
Started By : Guest -
3 2268 Jul 20th 4:38 pm
Marat
what is the unit of "oscillator strength"
Started By : Guest -
1 6953 Jul 7th 11:16 am
Guest -
"too many files open" error
Started By : Matrix2010
1 2835 Jul 6th 2:14 pm
Bert
ROMP2 calculation
Started By : Guest -
1 2268 Jul 6th 2:10 pm
Bert
read basis set
Started By : Guest -
3 3417 Jul 6th 2:07 pm
Bert
QM/MM with no MM parameters
Started By : TeoT
2 1865 Jun 30th 11:39 pm
TeoT
Calculating Energies and Enthalpies
Started By : Guest -
1 5819 Jun 28th 9:23 am
Guest -
ECP60MDF
Started By : Brynetan
7 4707 Jun 22nd 1:17 pm
Guest -
Question about ONIOM/QMMM
Started By : Guest -
0 1973 Jun 21st 1:35 pm
Guest -
qmmm dynamics
Started By : Guest -
3 1980 Jun 17th 9:21 pm
Guest -

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