General Topics

Announcement's	Replies	Views	Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed	0	9997	Jun 7th 4:53 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	12336	Dec 14th 2:51 pm Edoapra

Thread Title	Replies	Views	Last Action
vdW parameter unit for NWCHEM	1	2138	Aug 2nd 5:00 pm Bert
nwchem hangs before dft scf	2	2446	Aug 2nd 4:52 pm Bert
Ionization potential of Pd using ECP28MDF	4	2768	Jul 21st 7:47 pm Brynetan
qmmm free energies	3	2441	Jul 20th 5:38 pm Marat
what is the unit of "oscillator strength"	1	8132	Jul 7th 12:16 pm Guest -
"too many files open" error	1	3038	Jul 6th 3:14 pm Bert
ROMP2 calculation	1	2545	Jul 6th 3:10 pm Bert
read basis set	3	4007	Jul 6th 3:07 pm Bert
QM/MM with no MM parameters	2	2050	Jul 1st 12:39 am TeoT
Calculating Energies and Enthalpies	1	6781	Jun 28th 10:23 am Guest -
ECP60MDF	7	4921	Jun 22nd 2:17 pm Guest -
Question about ONIOM/QMMM	0	2182	Jun 21st 2:35 pm Guest -
qmmm dynamics	3	2184	Jun 17th 10:21 pm Guest -
How to convert AMBER(xleap) format atom name to NW amber format	1	3498	Jun 17th 9:20 am Marat
qmmm free energies	3	2251	Jun 13th 9:36 am Guest -
SODFT frequencies	1	2539	Jun 8th 5:35 pm Niri
Question about qmmm calcualtions	1	2057	Jun 1st 11:44 am Marat
Starting a thread	7	3453	May 11th 1:55 pm Bert
how to generate .cube files at the multiple iterations	2	2841	May 5th 1:25 pm Bert
BSSE issue: atoms with ecp basis	1	3276	Apr 22nd 4:58 pm Bert
point charges	2	3128	Apr 18th 3:53 pm Niri
How to add a new density funcional?	2	2459	Apr 18th 3:51 pm Niri
SVN Access	1	2574	Apr 14th 10:51 am Bert
Hello	1	2579	Mar 24th 12:11 pm Guest -
libraries/lanl2dzdp_ecp change between 5.1.1 and 6.0	1	3200	Feb 21st 8:57 am Guest -

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