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Any kind of feedback: positive, negative, neutral, etc ... For example: I have tried ten times to download the tarball file for NWChem 6.5 and the download never completed in full
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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 2639 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 4727 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Link to CULGI software package on NWChem website
Started By : Paul
2 479 Oct 2nd 6:10 am
Paul
atom specific integration grid not fully compatible with atom tags
Started By : Marcof
0 566 Jul 27th 5:27 am
Marcof
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
7 1515 May 24th 3:07 am
Agemuend
X + COSMO
Started By : P99
3 818 Feb 20th 3:47 am
Xiongyan21
NWChem 6.8: bug in molden file when symmetry is used
Started By : Zork
1 1281 Dec 25th 10:14 am
Edoapra
Bug in density Laplacian calculation in nwdft
Started By : Dmejiar
2 782 Dec 7th 2:39 pm
Dmejiar
availability of 6-311G titanium basis sets on PNNL BSE?
Started By : Alexbalboa
0 964 Nov 14th 10:27 am
Alexbalboa
ccCA reference energy calculation correction
Started By : Drhaney
0 833 Sep 11th 10:25 pm
Drhaney
ccCA code defect
Started By : Drhaney
1 1239 Sep 7th 10:23 am
Edoapra
ESP (Electrostatic Potential in NWChem)
Started By : Matrix2017
1 1424 Jul 18th 2:17 pm
Matrix2017
Basis Set Exchange website can't be opened
Started By : Anyeyu
2 951 Jun 28th 8:51 am
Anyeyu
about wcut in nwpw_input?
Started By : Kwaldner
2 1410 Feb 26th 5:55 am
Kwaldner
PSPW code seems to be completely broken
Started By : Yesint
7 1423 Feb 24th 2:23 am
Yesint
rt-tdft example: Water TD-PBE0 resonant excitation
Started By : Mouse
1 1450 Sep 29th 2:22 pm
Niri
use maintenance versions (6.6.1, 6.6.2) for critical patches
Started By : Den59
1 1605 Aug 24th 1:52 pm
Den59
QMD Properties
Started By : Fteixeira
2 1704 Jul 12th 7:04 am
Fteixeira
Need help for MP2 calculation
Started By : Sujala
3 2062 Jul 11th 10:14 am
Sujala
radial densiity
Started By : Anand bharadvaja
0 1470 Jun 1st 11:15 pm
Anand bharadvaja
Typo on Band Structure Paths on user's manual
Started By : Jud11
0 1595 Mar 7th 10:37 pm
Jud11
total dft energy differs from partial energies
Started By : Stanos4
4 2818 Feb 26th 2:05 pm
Sean
Bug in Raman code
Started By : Sean
0 3478 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 3506 Jan 28th 2:50 pm
Edoapra
TDDFT excited state gradients and optimizations - labels of roots when using symmetry
Started By : Rocfo
0 1737 Jan 28th 5:33 am
Rocfo
N-N Bond Fragmentation
Started By : Iromkingman
0 1576 Jan 19th 3:13 pm
Iromkingman
implementation of 1e- and 2e-integrals
Started By : Masoud
1 1611 Jan 13th 2:56 pm
Mernst

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