November 2013 Archives by thread

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Starting: Tue Nov 5 00:20:48 UTC 2013
Ending: Sat Nov 30 11:14:56 UTC 2013
Messages: 33

• Trying to compile cp2k+cuda+intel_mpi in parallel-smp mode   Alexey Nesternko
  • Trying to compile cp2k+cuda+intel_mpi in parallel-smp mode   Alexey Nesternko
    • [CP2K:4790] Re: Trying to compile cp2k+cuda+intel_mpi in parallel-smp mode   Urban Borštnik
• The correction of the mean force to calculation of free energy in CP2K   zhe8... at gmail.com
• Units of Morse potential   Chuong
  • [CP2K:4769] Units of Morse potential   Teodoro Laino
  • [CP2K:4769] Units of Morse potential   Teodoro Laino
• Semiempirical Geometry Optimization calculation with periodic boundary condition   bharat
  • Semiempirical Geometry Optimization calculation with periodic boundary condition   Alexey Nesternko
    • [CP2K:4772] Re: Semiempirical Geometry Optimization calculation with periodic boundary condition   Bharat Sharma
  • Semiempirical Geometry Optimization calculation with periodic boundary condition   David Stelter
    • [CP2K:4779] Re: Semiempirical Geometry Optimization calculation with periodic boundary condition   Bharat Sharma
• forces from SE MD is cutoff independent   bharat
  • [CP2K:4774] forces from SE MD is cutoff independent   Teodoro Laino
    • [CP2K:4774] forces from SE MD is cutoff independent   Bharat Sharma
• [CP2K:4719] dbcsr error when applying periodic efield   David Stelter
• Strange behaviour by molecule in Electric field   Pankaj Mishra
  • Strange behaviour by molecule in Electric field   Matt W
    • Strange behaviour by molecule in Electric field   Pankaj Mishra
      • Strange behaviour by molecule in Electric field   Matt W
      • Strange behaviour by molecule in Electric field   Pankaj Mishra
• [CP2K:4771] Semiempirical Geometry Optimization calculation with periodic boundary condition   hut... at pci.uzh.ch
  • [CP2K:4780] Semiempirical Geometry Optimization calculation with periodic boundary condition   Bharat Sharma
• How to print the output from the beginning of the simulation?   bharat
  • How to print the output from the beginning of the simulation?   David Stelter
• Problem with periodic electric field   Gabriele Tocci
• cp2k on supermuc   carlo antonio pignedoli
  • [CP2K:4791] cp2k on supermuc   Teodoro Laino
    • [CP2K:4792] cp2k on supermuc   carlo antonio pignedoli
  • [CP2K:4791] cp2k on supermuc   Michael Banck
• Proper sign of electrostatic potential in v_hatree.cube file   Hongqian Sang
• METAVAR parameter   David Cantu
• Binding energy   Andreas Achazi

Last message date: Sat Nov 30 11:14:56 UTC 2013
Archived on: Thu Mar 3 11:47:32 UTC 2022

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