General Topics

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

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units for linear response
2 2081 Sep 16th 3:50 pm
Niri
tolerance in CPHF module
5 3596 Sep 16th 5:54 am
Guest -
Convert NWChem output to GAMESS
1 2918 Sep 6th 9:39 am
Bert
vacuo directive in MD
1 1848 Aug 26th 2:06 pm
Guest -
metals with prepare
0 1714 Aug 25th 5:28 am
Guest -
Problem with "Save Preferences"
1 2049 Aug 19th 3:14 pm
Bert
Dimension msa too small
1 2461 Aug 19th 3:05 pm
Bert
run DFT using ROHF wavefunctions
1 2691 Aug 18th 6:16 am
Niri
Installing ECCE Client
1 2321 Aug 16th 1:55 pm
Bert
How/where can I get a pdf copy of the user' manual/programmer's guide for NWChem 6.0
1 2635 Aug 2nd 5:03 pm
Bert
Excited state calculation
2 2120 Aug 2nd 5:03 pm
Niri
eastimaed standard error in QM/MM free energy perturbation method
1 2753 Aug 2nd 5:02 pm
Bert
to generate topology file for qmmm
2 2264 Aug 2nd 5:01 pm
Bert
vdW parameter unit for NWCHEM
1 2193 Aug 2nd 5:00 pm
Bert
nwchem hangs before dft scf
2 2508 Aug 2nd 4:52 pm
Bert
Ionization potential of Pd using ECP28MDF
4 2824 Jul 21st 7:47 pm
Brynetan
qmmm free energies
3 2510 Jul 20th 5:38 pm
Marat
what is the unit of "oscillator strength"
1 8313 Jul 7th 12:16 pm
Guest -
"too many files open" error
1 3099 Jul 6th 3:14 pm
Bert
ROMP2 calculation
1 2655 Jul 6th 3:10 pm
Bert
read basis set
3 4120 Jul 6th 3:07 pm
Bert
QM/MM with no MM parameters
2 2110 Jul 1st 12:39 am
TeoT
Calculating Energies and Enthalpies
1 6927 Jun 28th 10:23 am
Guest -
ECP60MDF
7 4990 Jun 22nd 2:17 pm
Guest -
Question about ONIOM/QMMM
0 2230 Jun 21st 2:35 pm
Guest -
qmmm dynamics
3 2244 Jun 17th 10:21 pm
Guest -

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