General Topics


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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Edoapra

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Global rotation of molecule in NWChem?
 0 374 Aug 28th 9:22 am
Seebol
Load Directive Issue
 1 441 Aug 27th 9:37 am
Seebol
How to get the electronic coupling between two triplet state structures (energy transfer)
 2 942 Aug 5th 10:04 pm
Xiongyan21
Limitxyz for DPLOT
 0 362 Jul 30th 3:12 pm
Kaihong
single scf using DFT
 0 384 Jul 22nd 5:44 pm
Holyriver6
DIRDYVTST error
 0 354 Jul 20th 10:53 am
Holyriver6
Question about "actlist"and "fix atom"
 1 381 Jul 16th 9:17 am
Edoapra
dft optimization failed
 2 618 Jul 11th 7:18 am
Kaihong
Estimating influence of spin-orbit effects on reaction energy?
 1 455 Jul 5th 9:16 pm
Xiongyan21
relaxed density from DHDFT
 0 389 Jun 28th 7:31 am
G123
NWchem output files
 0 503 Jun 24th 9:15 am
Seebol
MO Occupations -RTTDDFT
 2 523 Jun 17th 5:24 am
Matrix2019
Dplot display of HOMO and LUMO
 6 7036 Jun 12th 3:03 pm
Cong314159
When will the official new version of NWCHEM be released
 4 582 May 17th 9:17 pm
Xiongyan21
CHARMM in nwchem 6.8
 0 417 May 10th 2:42 am
Mspichty
Which input making software can create internals?
 1 776 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
 0 429 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
 0 366 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
 0 139 Mar 4th 2:29 pm
Kwaldner
Planewave codes: Abinit vs NWChem?
 0 480 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
 1 646 Dec 10th 6:39 am
Mdsimulationgroup
ZORA in nwchem
 5 4681 Oct 19th 10:43 am
Sassy
water Absorption ex
 0 645 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
 1 587 Sep 2nd 5:35 am
Fatemeh
rt-TDDFT and OCCUP
 8 8552 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
 0 592 Aug 16th 12:03 pm
Julen

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