NWChem functionality

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Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1082 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
fconly for spin-spin coupling
Started By : Ericj
0 29 Jul 10th 9:52 am
Ericj
Raman Intensity String Length
Started By : Rsiegel
1 74 Jun 14th 4:13 am
Sean
SCAN meta-GGA functional
Started By : Bsantra
1 100 May 24th 8:11 am
Niri
Screened Range-Separated Hybrid Functional
Started By : Leahbd
0 51 May 14th 4:56 am
Leahbd
ESP module
Started By : Chloe
8 2961 May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 105 May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
Started By : Cma46
2 192 May 4th 5:53 pm
Xiongyan21
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
2 149 May 4th 12:25 am
Xiongyan21
Grid specification for dummy atoms
Started By : Bmoore17
3 2247 May 3rd 10:34 pm
Neo
4c integrals
Started By : Mdvorak
1 93 Apr 18th 10:38 am
Edoapra
Units of DPLOT Cube Output
Started By : Philly GT
1 117 Mar 30th 9:47 am
Edoapra
mepgs and MCSCF
Started By : Tunell
0 121 Feb 27th 3:42 am
Tunell
SO-DFT Property Calculation
Started By : Sparks
2 198 Feb 19th 3:29 am
Sparks
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2681 Feb 7th 10:53 am
Edoapra
Raman plot point number
Started By : Faklerus
6 348 Feb 1st 10:41 am
Edoapra
M06-2x and DISP v.4
Started By : Lmihael
3 377 Dec 4th 1:40 pm
Edoapra
Temperature Accelerated Molecular Dynamics
Started By : Silvio
0 185 Nov 10th 10:32 pm
Silvio
Relativistic spin-spin couplings
Started By : Hmsenn
1 284 Nov 2nd 1:53 pm
Niri
cvr_scaling and torsional angle
Started By : Sandile5
0 160 Oct 27th 7:30 pm
Sandile5
Excited States State Dipole Moment with TD-DFT
Started By : DouDou
7 2379 Oct 26th 6:36 am
P.partovi
alpha, beta and omega in LC-wPBEh functional
Started By : Sthomas
0 190 Oct 18th 12:25 pm
Sthomas
Feature request: write entropy to RTDB
Started By : Drhaney
2 408 Aug 9th 7:43 pm
Drhaney
VSCF - cubic and quartic anharmonicities
Started By : Nicole
2 343 Jul 24th 5:39 am
Nicole
uniform background charge in plane-wave calculations?
Started By : Kwaldner
0 505 May 23rd 10:52 am
Kwaldner
Is it possible to calculate excited state of molecule by using Constrained TD-DFT ?
Started By : Rangsiman
0 403 May 2nd 8:08 am
Rangsiman

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