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Announcement's	Replies	Views	Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed Started By : Edoapra	0	9951	Jun 7th 4:53 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload Started By : Edoapra	0	12286	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
Confused about someting in the cdft_newt subroutine Started By : Jdhoward	0	1049	Nov 4th 3:37 pm Jdhoward
Link to CULGI software package on NWChem website Started By : Paul	2	916	Oct 2nd 6:10 am Paul
atom specific integration grid not fully compatible with atom tags Started By : Marcof	0	937	Jul 27th 5:27 am Marcof
Eigenvectors failed to converge in nwChem 6.8 Started By : Agemuend	7	2197	May 24th 3:07 am Agemuend
X + COSMO Started By : P99	3	1219	Feb 20th 3:47 am Xiongyan21
NWChem 6.8: bug in molden file when symmetry is used Started By : Zork	1	1735	Dec 25th 10:14 am Edoapra
Bug in density Laplacian calculation in nwdft Started By : Dmejiar	2	1170	Dec 7th 2:39 pm Dmejiar
availability of 6-311G titanium basis sets on PNNL BSE? Started By : Alexbalboa	0	1357	Nov 14th 10:27 am Alexbalboa
ccCA reference energy calculation correction Started By : Drhaney	0	1194	Sep 11th 10:25 pm Drhaney
ccCA code defect Started By : Drhaney	1	1627	Sep 7th 10:23 am Edoapra
ESP (Electrostatic Potential in NWChem) Started By : Matrix2017	1	1921	Jul 18th 2:17 pm Matrix2017
Basis Set Exchange website can't be opened Started By : Anyeyu	2	1345	Jun 28th 8:51 am Anyeyu
about wcut in nwpw_input? Started By : Kwaldner	2	1810	Feb 26th 5:55 am Kwaldner
PSPW code seems to be completely broken Started By : Yesint	7	1841	Feb 24th 2:23 am Yesint
rt-tdft example: Water TD-PBE0 resonant excitation Started By : Mouse	1	1846	Sep 29th 2:22 pm Niri
use maintenance versions (6.6.1, 6.6.2) for critical patches Started By : Den59	1	2020	Aug 24th 1:52 pm Den59
QMD Properties Started By : Fteixeira	2	2098	Jul 12th 7:04 am Fteixeira
Need help for MP2 calculation Started By : Sujala	3	2546	Jul 11th 10:14 am Sujala
radial densiity Started By : Anand bharadvaja	0	1808	Jun 1st 11:15 pm Anand bharadvaja
Typo on Band Structure Paths on user's manual Started By : Jud11	0	1916	Mar 7th 10:37 pm Jud11
total dft energy differs from partial energies Started By : Stanos4	4	3493	Feb 26th 2:05 pm Sean
Bug in Raman code Started By : Sean	0	3936	Feb 2nd 6:45 pm Sean
NWChem 6.6: bug in geometry optimization Started By : Edoapra	5	3994	Jan 28th 2:50 pm Edoapra
TDDFT excited state gradients and optimizations - labels of roots when using symmetry Started By : Rocfo	0	2122	Jan 28th 5:33 am Rocfo
N-N Bond Fragmentation Started By : Iromkingman	0	1935	Jan 19th 3:13 pm Iromkingman

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