Running NWChem

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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

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prepare error
1 1118 Mar 1st 5:10 pm
Tjerk
md error
1 1222 Mar 1st 5:08 pm
Tjerk
segmentation fault running md example
1 1195 Mar 1st 5:05 pm
Tjerk
Probllems with MD module
1 1399 Mar 1st 5:02 pm
Tjerk
module Analyze
1 1272 Mar 1st 4:46 pm
Tjerk
Problems with frequency calculations
1 1636 Feb 29th 10:12 am
Sean
Segmentation Fault
6 1977 Feb 26th 6:37 pm
Bikash
nwpw band energy problem.
0 970 Feb 22nd 9:27 pm
Nesquik91
6.6 cosmo segmentation violation
6 1862 Feb 22nd 9:12 am
Ivo
initial path with neb
0 1087 Feb 20th 12:42 am
Heully
Junk.xxx files keep rewriting
4 1894 Feb 19th 8:42 am
Olanky
Raman - no failure report without damping
8 3039 Feb 17th 5:11 pm
Manfred
(Solved) Energy increases with task dft optimize
2 1580 Feb 16th 5:46 pm
Dongsunyoo
Using Long Range Corrected DFT Functionals
2 1063 Feb 15th 4:12 pm
Hodg4890
Segmentation Violation error / ARMCI DASSERT fail
5 2855 Feb 15th 6:40 am
Ivo
geometry optimization - Load of old vectors failed
2 1723 Feb 11th 3:09 am
Stanos4
CDFT and CGMIN ???
0 890 Feb 10th 1:32 pm
Acapobia
Transition state search from frequency calculation
3 2125 Feb 9th 3:07 am
Rasmus
No geometry and basis in the database
6 1964 Feb 8th 3:02 pm
Kayahan
Problems in steric energy calculation
2 1141 Feb 3rd 4:16 pm
Alison.pacheco
removing constraints after constrained optimization
1 1094 Feb 3rd 5:05 am
Rasmus
available GA memory not enough?
2 1960 Jan 28th 1:04 pm
Sbbfifa
Orbital swap with spin orbit DFT
0 997 Jan 27th 8:46 am
Asu
Difficulties offloading the ccsd calculation with Xeon Phi
2 1834 Jan 26th 3:33 am
Glaws003
Wrong format for small values in cube files created by dplot
4 2515 Jan 22nd 1:01 pm
Futofuji

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