November 2011 Archives by thread

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Starting: Tue Nov 1 10:31:51 UTC 2011
Ending: Tue Nov 29 13:26:45 UTC 2011
Messages: 66

• cp2k timeline   Alin Marin Elena
  • [CP2K:3579] cp2k timeline   Yundi Quan
• general question on calculating metals using cp2k   Jun
  • [CP2K:3581] general question on calculating metals using cp2k   carlo antonio pignedoli
    • general question on calculating metals using cp2k   Jun
      • [CP2K:3583] Re: general question on calculating metals using cp2k   carlo antonio pignedoli
      • general question on calculating metals using cp2k   Jun
      • [CP2K:3585] Re: general question on calculating metals using cp2k   carlo antonio pignedoli
      • general question on calculating metals using cp2k   Jun
• Cp2k Installation Problem   kaliappan muthukumar
  • [CP2K:3588] Cp2k Installation Problem   Urban Borštnik
• printing charge distribution at each time step of RTP   Fatemeh
• Centering at every MD step?   LS
  • 回复： [CP2K:3591] Centering at every MD step?   shoutian sun
    • Re: 回复： [CP2K:3591] Centering at every MD step?   LS
• mixed openMP-MPI for HF exchange   Simone Piccinin
  • mixed openMP-MPI for HF exchange   flo
  • [CP2K:3594] mixed openMP-MPI for HF exchange   hut... at pci.uzh.ch
    • mixed openMP-MPI for HF exchange   Simone Piccinin
• Postdoc position available @ UPC - Barcelona   marco masia
• Wannier Spreads   Ali
• MTD CV: &REACTION_PATH   Janos... at googlemail.com
• Bi-radical molecular calculations   Ross, Sun
  • [CP2K:3601] Bi-radical molecular calculations   hut... at pci.uzh.ch
• xc funtional - TFW   joanyi Chen
  • [CP2K:3602] xc funtional - TFW   hut... at pci.uzh.ch
    • xc funtional - TFW   joanyi Chen
      • [CP2K:3619] Re: xc funtional - TFW   hut... at pci.uzh.ch
• Vibrational Analysis Problems   StKolev
  • Vibrational Analysis Problems   flo
    • Vibrational Analysis Problems   StKolev
• QMMM single point energy calculations   Michael Carter
• View this page "Using Multiple Walkers in the built-in Metadynamics module"   nadler
  • [CP2K:3608] Re: View this page "Using Multiple Walkers in the built-in Metadynamics module"   Teodoro Laino
    • [CP2K:3608] View this page "Using Multiple Walkers in the built-in Metadynamics module"   James Kermode
      • [CP2K:3608] View this page "Using Multiple Walkers in the built-in Metadynamics module"   nadler
      • [CP2K:3608] View this page "Using Multiple Walkers in the built-in Metadynamics module"   nadler
• *** Extended deadline Dec 6 *** CfP: 2nd Workshop on Model-driven Approaches for Simulation Engineering (Mod4Sim), in Symposium on Theory of Modeling and Simulation, SCS Spring Sim 2012   daniele
• umbrella sampling   Sandeep Kumar Reddy
  • [CP2K:3612] umbrella sampling   Pietro Vidossich
    • umbrella sampling   sandeep
• RESTRAINT option   Sandeep Kumar Reddy
• Fock and Overlap Matrices   DEC014
  • [CP2K:3621] Fock and Overlap Matrices   Ralph Koitz
    • Fock and Overlap Matrices   DEC014
• Restart MD   Sandeep Kumar Reddy
  • [CP2K:3623] Restart MD   Teodoro Laino
  • Restart MD   Sandeep Kumar Reddy
  • Restart MD   Sandeep Kumar Reddy
    • [CP2K:3631] Restart MD   Teodoro Laino
    • [CP2K:3631] Restart MD   Teodoro Laino
      • [CP2K:3636] Restart MD   Sandeep Kumar Reddy
      • [CP2K:3637] Restart MD   Teodoro Laino
      • [CP2K:3638] Restart MD   Sandeep Kumar Reddy
• NEB: number of replicas, cpus and input files   Jörg Saßmannshausen
  • [CP2K:3627] NEB: number of replicas, cpus and input files   c.pignedoli
    • [CP2K:3628] NEB: number of replicas, cpus and input files   Jörg Saßmannshausen
      • [CP2K:3629] NEB: number of replicas, cpus and input files   Teodoro Laino
      • [CP2K:3630] NEB: number of replicas, cpus and input files   Jörg Saßmannshausen
      • [CP2K:3633] NEB: number of replicas, cpus and input files   Teodoro Laino
      • [CP2K:3634] NEB: number of replicas, cpus and input files   Jörg Saßmannshausen
• how to run a parallel work in cp2k   zhuhong zhu
  • [CP2K:3639] how to run a parallel work in cp2k   Jörg Saßmannshausen
• problem in runing SCRF calculation   朱红
  • problem in runing SCRF calculation   zhuhong zhu
• Is it possible not to use UKS for a metallic system containing an odd number of electrons?   Jun

Last message date: Tue Nov 29 13:26:45 UTC 2011
Archived on: Thu Mar 3 11:47:29 UTC 2022

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