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

Thread Title	Replies	Views	Last Action
run DFT using ROHF wavefunctions	1	2690	Aug 18th 6:16 am Niri
Installing ECCE Client	1	2320	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	2634	Aug 2nd 5:03 pm Bert
Excited state calculation	2	2119	Aug 2nd 5:03 pm Niri
eastimaed standard error in QM/MM free energy perturbation method	1	2752	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 -
How to convert AMBER(xleap) format atom name to NW amber format	1	3575	Jun 17th 9:20 am Marat
qmmm free energies	3	2322	Jun 13th 9:36 am Guest -
SODFT frequencies	1	2604	Jun 8th 5:35 pm Niri
Question about qmmm calcualtions	1	2112	Jun 1st 11:44 am Marat
Starting a thread	7	3518	May 11th 1:55 pm Bert
how to generate .cube files at the multiple iterations	2	2906	May 5th 1:25 pm Bert

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