September 2010 Archives by thread

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Starting: Thu Sep 2 21:47:30 UTC 2010
Ending: Thu Sep 30 18:26:20 UTC 2010
Messages: 37

• implicit solvent model for ellipsoid solute cavity   Hanning Chen
  • [CP2K:2826] implicit solvent model for ellipsoid solute cavity   Laino Teodoro
    • [CP2K:2827] implicit solvent model for ellipsoid solute cavity   Hanning Chen
      • [CP2K:2828] implicit solvent model for ellipsoid solute cavity   Laino Teodoro
      • [CP2K:2829] implicit solvent model for ellipsoid solute cavity   Shawn T. Brown
• Parellization   sst168
  • Parellization   sst168
• File confusion   Zterrano
  • File confusion   Matthias Krack
• how to output current density   Hanning Chen
  • [CP2K:2835] how to output current density   Juerg Hutter
    • [CP2K:2837] how to output current density   Hanning Chen
      • [CP2K:2837] how to output current density   Hanning Chen
      • [CP2K:2841] how to output current density   Juerg Hutter
      • [CP2K:2842] how to output current density   Hanning Chen
      • [CP2K:2842] how to output current density   Hanning Chen
      • [CP2K:2847] how to output current density   Urban Borštnik
• gradient of wavefunction ?   Hanning Chen
• Montecarlo   Francesco
  • Montecarlo   Matt
    • [CP2K:2843] Re: Montecarlo   Francesco Ragone
• cell metadynamics   sst168
• operations on dbscr_obj   Hanning Chen
  • [CP2K:2846] operations on dbscr_obj   Urban Borštnik
  • [CP2K:2846] operations on dbscr_obj   Juerg Hutter
• Calculation of Exact exchange potential   Andrey
  • [CP2K:2851] Calculation of Exact exchange potential   Juerg Hutter
• problems using HSE as a hybrid functional.   Petko Petkov
  • [CP2K:2853] problems using HSE as a hybrid functional.   Juerg Hutter
    • [CP2K:2855] problems using HSE as a hybrid functional.   Petko Petkov
• Proper sign of electrostatic potential in v_hatree.cube file   malay rana
• problem on cray-xt   Jun
  • problem on cray-xt   Matt W
    • [CP2K:2858] Re: problem on cray-xt   Jun Cheng
      • problem on cray-xt   Matt W
      • problem on cray-xt   Jun
• HCTHxxx functionals, potentials, basis and some water   Alin Marin Elena

Last message date: Thu Sep 30 18:26:20 UTC 2010
Archived on: Thu Mar 3 11:47:27 UTC 2022

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