June 2010 Archives by thread

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Starting: Wed Jun 2 15:23:39 UTC 2010
Ending: Wed Jun 30 15:42:48 UTC 2010
Messages: 42

• units in GENPOT section   Noam Bernstein
  • [CP2K:2742] units in GENPOT section   Teodoro Laino
    • [CP2K:2743] units in GENPOT section   Noam Bernstein
      • [CP2K:2744] units in GENPOT section   Teodoro Laino
  • [CP2K:2742] units in GENPOT section   Juerg Hutter
    • [CP2K:2746] units in GENPOT section   Noam Bernstein
      • [CP2K:2759] units in GENPOT section   Juerg Hutter
• NEB with qmmm   ivaylo
  • [CP2K:2747] NEB with qmmm   Laino Teodoro
    • NEB with qmmm   ivaylo
      • [CP2K:2749] Re: NEB with qmmm   Teodoro Laino
      • NEB with qmmm   ivaylo
      • [CP2K:2751] Re: NEB with qmmm   Teodoro Laino
• Using AMBER prmtop in cp2k for both FF parameters and connectivity   Ilyas Khaliullin
  • [CP2K:2753] Using AMBER prmtop in cp2k for both FF parameters and connectivity   Teodoro Laino
    • Using AMBER prmtop in cp2k for both FF parameters and connectivity   Ilyas Khaliullin
      • [CP2K:2755] Re: Using AMBER prmtop in cp2k for both FF parameters and connectivity   Laino Teodoro
      • [CP2K:2755] Re: Using AMBER prmtop in cp2k for both FF parameters and connectivity   Laino Teodoro
      • Using AMBER prmtop in cp2k for both FF parameters and connectivity   Ilyas Khaliullin
      • [CP2K:2762] Re: Using AMBER prmtop in cp2k for both FF parameters and connectivity   Teodoro Laino
      • Using AMBER prmtop in cp2k for both FF parameters and connectivity   Ilyas Khaliullin
• CORE_CORRECTION "magic numbers"   Stanislav Avdoshenko
  • [CP2K:2757] CORE_CORRECTION "magic numbers"   Juerg Hutter
    • [CP2K:2764] CORE_CORRECTION "magic numbers"   Stanislav Avdoshenko
• vibrational calculations   Noam Bernstein
• quadrupole moment not traceless ?   Hanning Chen
  • quadrupole moment not traceless ?   Axel
    • [CP2K:2768] Re: quadrupole moment not traceless ?   Hanning Chen
• MPI2 problem on IBM Power PC   Pietro Vidossich
  • MPI2 problem on IBM Power PC   Urban
    • [CP2K:2771] Re: MPI2 problem on IBM Power PC   Pietro Vidossich
• What is the reference point for the zero of energy?   zh
  • [CP2K:2773] What is the reference point for the zero of energy?   Jun Cheng
• Energy Jump   cbeck
  • Energy Jump   Axel
• Amber crd file type? Proper format   Zterrano
  • [CP2K:2776] Amber crd file type? Proper format   Teodoro Laino
    • Amber crd file type? Proper format   Zterrano
      • [CP2K:2777] Re: Amber crd file type? Proper format   Laino Teodoro
      • Amber crd file type? Proper format   Zterrano
• RATLLE vs SHAKE   Frank Uhlig
• include some lumo orbitals in OT during SCF   Jun

Last message date: Wed Jun 30 15:42:48 UTC 2010
Archived on: Thu Mar 3 11:47:27 UTC 2022

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