January 2011 Archives by thread

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Starting: Sat Jan 1 17:05:57 UTC 2011
Ending: Fri Jan 28 16:23:21 UTC 2011
Messages: 53

• About X3LYP functional   Igor Ying Zhang
• about smearing the density of states   Gabrielet=16
• psmp build - error with Intel compiler   Ondrej Marsalek
  • 回复： [CP2K:3030] psmp build - error with Intel compiler   shoutian sun
    • Re: 回复： [CP2K:3031] psmp build - error with Intel compiler   Ondrej Marsalek
  • psmp build - error with Intel compiler   Ondrej Marsalek
  • [CP2K:3030] psmp build - error with Intel compiler   Urban Borštnik
    • [CP2K:3034] psmp build - error with Intel compiler   Ondrej Marsalek
• Segfault with psmp   Ondrej Marsalek
  • Segfault with psmp   Ross, Sun
    • [CP2K:3037] Re: Segfault with psmp   Ondrej Marsalek
      • [CP2K:3038] Re: Segfault with psmp   Alin Marin Elena
      • [CP2K:3039] Re: Segfault with psmp   Ondrej Marsalek
  • Segfault with psmp   Ondrej Marsalek
    • [CP2K:3041] Re: Segfault with psmp   Alin Marin Elena
    • Segfault with psmp   Ondrej Marsalek
      • [CP2K:3043] Re: Segfault with psmp   Alin Marin Elena
      • [CP2K:3043] Re: Segfault with psmp   Alin Marin Elena
      • [CP2K:3043] Re: Segfault with psmp   Alin Marin Elena
      • [CP2K:3046] Re: Segfault with psmp   Urban Borštnik
      • [CP2K:3043] Re: Segfault with psmp   Urban Borštnik
      • [CP2K:3050] Re: Segfault with psmp   Ondrej Marsalek
• How to get the CP2K toturial file from " http://groups.google.com/group/cp2k_tutorial" ?   Yeng-Tseng Wang
  • [CP2K:3047] How to get the CP2K toturial file from " http://groups.google.com/group/cp2k_tutorial" ?   Teodoro Laino
    • How to get the CP2K toturial file from " http://groups.google.com/group/cp2k_tutorial" ?   Yeng-Tseng Wang
      • [CP2K:3049] Re: How to get the CP2K toturial file from " http://groups.google.com/group/cp2k_tutorial" ?   Teodoro Laino
      • Error in fixing atomic positions during atomic relaxation?   Valerio Bellini
      • [CP2K:3052] Error in fixing atomic positions during atomic relaxation?   Teodoro Laino
      • [CP2K:3053] Error in fixing atomic positions during atomic relaxation?   Valerio Bellini
      • [CP2K:3054] Error in fixing atomic positions during atomic relaxation?   Teodoro Laino
• Electric field and intensity of the electric field for molecular optical properties   Jose Javier Plata Ramos
  • [CP2K:3057] Electric field and intensity of the electric field for molecular optical properties   Hanning Chen
• Segfaults with ssmp build   Ondrej Marsalek
• Chemical requirements of CO2 release from calcium carbonate in glacial periods   Gregkaye
• FIST - missing torsional   Francesco
  • [CP2K:3061] FIST - missing torsional   Teodoro Laino
    • FIST - missing torsional   Francesco
      • [CP2K:3063] Re: FIST - missing torsional   Teodoro Laino
• Pseudopotential format   Jose Javier Plata Ramos
  • Pseudopotential format   Jose Javier Plata Ramos
  • [CP2K:3064] Pseudopotential format   hut... at pci.uzh.ch
• CPPrecondition   Andrey
  • [CP2K:0] CPPrecondition   hut... at pci.uzh.ch
• KINDS_FROM in the metadynamics calculation.   Ross, Sun
• Matrix Operations   Andrey
  • [CP2K:3071] Matrix Operations   Urban Borštnik
• Np pseudopotentials   Yasaman
• Metadynamics   Ali
  • [CP2K:3073] Metadynamics   Teodoro Laino
• Energies in output file during Metadynamics   Ali
  • [CP2K:3075] Energies in output file during Metadynamics   Teodoro Laino
• problem with suddenly freezing of one or more atoms in water solution in quickstep NVT simulations   Murat KILIC
  • [CP2K:3077] problem with suddenly freezing of one or more atoms in water solution in quickstep NVT simulations   Teodoro Laino

Last message date: Fri Jan 28 16:23:21 UTC 2011
Archived on: Thu Mar 3 11:47:28 UTC 2022

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