January 2008 Archives by author

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Starting: Wed Jan 2 09:46:51 UTC 2008
Ending: Thu Jan 31 20:33:42 UTC 2008
Messages: 162

cp2k release goals Axel
cp2k release goals Axel
cp2k release goals Axel
Cygwin port to windows command-line Axel
%MOTION%CONSTRAINT%G3X3 not repeatable? Axel
cp2k chooses unsupported FFT grids Axel
cp2k chooses unsupported FFT grids Axel
cp2k chooses unsupported FFT grids Axel
cp2k chooses unsupported FFT grids Axel
lagrangian multipliers Axel
cp2k release goals Axel
MD Primer Axel
How do I generate PSF ? Axel
How do I generate PSF ? Axel
single precision compile broken Axel
single precision compile broken Axel
single precision compile broken Axel
cp2k speedup on multicore machines Axel
cp2k speedup on multicore machines Axel
cp2k speedup on multicore machines Axel
cp2k speedup on multicore machines Axel
cp2k speedup on multicore machines Axel
[CP2K:575] Remove computer name Shawn T. Brown
[CP2K:608] How do I generate PSF ? Shawn T. Brown
[CP2K:655] Re: cp2k speedup on multicore machines Shawn T. Brown
Warning in QMMM Chris
Print out the constraint force Ming Ho
[CP2K:500] optical properties Juerg Hutter
[CP2K:516] Re: cp2k release goals Juerg Hutter
[CP2K:582] Re: cp2k chooses unsupported FFT grids Juerg Hutter
[CP2K:643] PDG = PDDG/PM3? Juerg Hutter
[CP2K:648] Re: PDG = PDDG/PM3? Juerg Hutter
[Cp2k-team] &LOCALIZE in &QS section Marcella Iannuzzi
[CP2K:500] optical properties Teodoro Laino
[CP2K:502] Re: cp2k release goals Teodoro Laino
[CP2K:506] Re: cp2k release goals Teodoro Laino
[CP2K:508] Re: cp2k release goals Teodoro Laino
[CP2K:512] Newbie Questions Teodoro Laino
[CP2K:508] Re: cp2k release goals Teodoro Laino
[CP2K:514] Re: Newbie Questions Teodoro Laino
[CP2K:518] intel compiling Teodoro Laino
[CP2K:520] Re: cp2k release goals Teodoro Laino
[CP2K:522] Re: Newbie Questions Teodoro Laino
[CP2K:525] No output on test Teodoro Laino
[CP2K:526] PM3 broken for Tl/Pb/Bi; also new SE parameters available Teodoro Laino
[CP2K:530] Problem when adding LOCALIZE section Teodoro Laino
[CP2K:532] Re: Problem when adding LOCALIZE section Teodoro Laino
[CP2K:534] Re: Problem when adding LOCALIZE section Teodoro Laino
[CP2K:529] fix atom Teodoro Laino
number of degrees of freedom and constraints/restraints Teodoro Laino
[CP2K:539] Re: No output on test Teodoro Laino
[CP2K:541] Re: No output on test Teodoro Laino
[CP2K:542] Re: No output on test Teodoro Laino
[CP2K:536] Re: Problem when adding LOCALIZE section Teodoro Laino
[CP2K:546] Re: No output on test Teodoro Laino
[CP2K:550] Print out the constraint force Teodoro Laino
[CP2K:553] Re: No output on test Teodoro Laino
[CP2K:555] Re: No output on test Teodoro Laino
[CP2K:557] Re: No output on test Teodoro Laino
[CP2K:560] Re: No output on test Teodoro Laino
[CP2K:536] Re: Problem when adding LOCALIZE section Teodoro Laino
[CP2K:570] Re: Cygwin port to windows command-line Teodoro Laino
[CP2K:575] Remove computer name Teodoro Laino
[CP2K:579] %MOTION%CONSTRAINT%G3X3 not repeatable? Teodoro Laino
[CP2K:579] %MOTION%CONSTRAINT%G3X3 not repeatable? Teodoro Laino
[CP2K:584] Re: cp2k chooses unsupported FFT grids Teodoro Laino
[CP2K:584] Re: cp2k chooses unsupported FFT grids Teodoro Laino
[CP2K:588] lagrangian multipliers Teodoro Laino
[CP2K:590] Re: lagrangian multipliers Teodoro Laino
[CP2K:594] Re: lagrangian multipliers Teodoro Laino
[CP2K:584] Re: cp2k chooses unsupported FFT grids Teodoro Laino
[CP2K:601] Re: cp2k release goals Teodoro Laino
[CP2K:601] Re: cp2k release goals Teodoro Laino
[CP2K:605] MD Primer Teodoro Laino
[CP2K:610] Re: How do I generate PSF ? Teodoro Laino
[CP2K:612] Re: How do I generate PSF ? Teodoro Laino
[CP2K:614] Re: How do I generate PSF ? Teodoro Laino
[CP2K:616] The center of masses drift problem Teodoro Laino
[CP2K:622] single precision compile broken Teodoro Laino
[CP2K:624] Re: single precision compile broken Teodoro Laino
[CP2K:624] Re: single precision compile broken Teodoro Laino
[CP2K:629] Re: Warning in QMMM Teodoro Laino
EACH keyword in print_keys converted in section Teodoro Laino
[CP2K:637] Re: cp2k speedup on multicore machines Teodoro Laino
[CP2K:640] run error Teodoro Laino
[CP2K:652] Re: cp2k speedup on multicore machines Teodoro Laino
[CP2K:659] Printing of wannier localization center Teodoro Laino
PDG = PDDG/PM3? Ben Levine
PDG = PDDG/PM3? Ben Levine
[CP2K:628] Warning in QMMM Fawzi Mohamed
[CP2K:635] Re: cp2k speedup on multicore machines Fawzi Mohamed
[CP2K:636] Re: cp2k speedup on multicore machines Fawzi Mohamed
[CP2K:638] Re: cp2k speedup on multicore machines Fawzi Mohamed
[CP2K:650] Re: cp2k speedup on multicore machines Fawzi Mohamed
[CP2K:632] cp2k speedup on multicore machines Nichols A. Romero
cp2k release goals Jörg Saßmannshausen
Printing of wannier localization center Eric Shamay
Printing of wannier localization center Eric Shamay
[CP2K:513] Re: Newbie Questions Jack Shultz
[CP2K:513] Re: Newbie Questions Jack Shultz
[CP2K:517] Re: Newbie Questions Jack Shultz
No output on test Jack Shultz
[CP2K:527] Re: No output on test Jack Shultz
[CP2K:540] Re: No output on test Jack Shultz
[CP2K:540] Re: No output on test Jack Shultz
[CP2K:543] Re: No output on test Jack Shultz
[CP2K:547] Re: No output on test Jack Shultz
[CP2K:547] Re: No output on test Jack Shultz
[CP2K:547] Re: No output on test Jack Shultz
[CP2K:554] Re: No output on test Jack Shultz
[CP2K:556] Re: No output on test Jack Shultz
[CP2K:558] Re: No output on test Jack Shultz
[CP2K:558] Re: No output on test Jack Shultz
[CP2K:561] Re: No output on test Jack Shultz
[CP2K:561] Re: No output on test Jack Shultz
[CP2K:561] Re: No output on test Jack Shultz
Cygwin port to windows command-line Jack Shultz
[CP2K:567] Re: Cygwin port to windows command-line Jack Shultz
[CP2K:567] Re: Cygwin port to windows command-line Jack Shultz
[CP2K:567] Re: Cygwin port to windows command-line Jack Shultz
[CP2K:571] Re: Cygwin port to windows command-line Jack Shultz
[CP2K:571] Re: Cygwin port to windows command-line Jack Shultz
Question Jack Shultz
Remove computer name Jack Shultz
[CP2K:577] Re: Remove computer name Jack Shultz
MD Primer Jack Shultz
How do I generate PSF ? Jack Shultz
[CP2K:609] Re: How do I generate PSF ? Jack Shultz
[CP2K:609] Re: How do I generate PSF ? Jack Shultz
[CP2K:613] Re: How do I generate PSF ? Jack Shultz
[CP2K:615] Re: How do I generate PSF ? Jack Shultz
[CP2K:619] Re: How do I generate PSF ? Jack Shultz
[CP2K:621] Re: How do I generate PSF ? Jack Shultz
optical properties Toon Verstraelen
speed of new cp2k Matt W
cp2k release goals Matt W
cp2k speedup on multicore machines Matt W
cp2k speedup on multicore machines cavallo
cp2k speedup on multicore machines cavallo
cp2k speedup on multicore machines cavallo
cp2k speedup on multicore machines cavallo
cp2k speedup on multicore machines cavallo
cp2k release goals flo
Newbie Questions jackyg... at gmail.com
intel compiling lml... at gmail.com
fix atom lml... at gmail.com
speed of new cp2k lml... at gmail.com
The center of masses drift problem mat1... at gmail.com
[CP2K:598] Re: speed of new cp2k lmliu
[CP2K:598] Re: speed of new cp2k lmliu
[CP2K:504] Re: cp2k release goals luca
[CP2K:508] Re: cp2k release goals luca
Problem when adding LOCALIZE section mbaer
Problem when adding LOCALIZE section mbaer
Problem when adding LOCALIZE section mbaer
Problem when adding LOCALIZE section mbaer
PM3 broken for Tl/Pb/Bi; also new SE parameters available radsci
lagrangian multipliers xiaoliang
lagrangian multipliers xiaoliang
lagrangian multipliers xiaoliang
run error xiaoliang
run error xiaoliang

Last message date: Thu Jan 31 20:33:42 UTC 2008
Archived on: Thu Mar 3 11:47:23 UTC 2022

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