January 2010 Archives by thread

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Starting: Mon Jan 4 11:13:31 UTC 2010
Ending: Thu Jan 28 13:21:49 UTC 2010
Messages: 50

• must have an explicit type. [MPI_2COMPLEX]   Amit Patel
  • [CP2K:2488] must have an explicit type. [MPI_2COMPLEX]   Teodoro Laino
    • must have an explicit type. [MPI_2COMPLEX]   Amit Patel
      • must have an explicit type. [MPI_2COMPLEX]   Matthias Krack
• Test files -H2O   Sandeep Kumar Reddy
  • [CP2K:2492] Test files -H2O   Laino Teodoro
    • [CP2K:2493] Test files -H2O   Sandeep Kumar Reddy
      • [CP2K:2494] Test files -H2O   Teodoro Laino
      • [CP2K:2495] Test files -H2O   Sandeep Kumar Reddy
      • [CP2K:2496] Test files -H2O   Jörg Saßmannshausen
      • [CP2K:2497] Test files -H2O   Sandeep Kumar Reddy
      • Test files -H2O   Amit Patel
      • [CP2K:2500] Re: Test files -H2O   Teodoro Laino
• topology files in CHARMM format   nagesh
  • [CP2K:2499] topology files in CHARMM format   Teodoro Laino
• Error while running a simple MD calculation   nagesh
  • [CP2K:2503] Error while running a simple MD calculation   Laino Teodoro
    • Error while running a simple MD calculation   nagesh
      • [CP2K:2505] Re: Error while running a simple MD calculation   Laino Teodoro
• Non-integer charge in QM/MM simulation   Pablo Campomanes
  • [CP2K:2507] Non-integer charge in QM/MM simulation   Teodoro Laino
    • [CP2K:2508] Non-integer charge in QM/MM simulation   Pablo Campomanes
• bug of finite external electric fields ?   Hanning Chen
  • bug of finite external electric fields ?   flo
• Thermostats in QMMM with constraints   shihao
  • [CP2K:2512] Thermostats in QMMM with constraints   Laino Teodoro
    • Thermostats in QMMM with constraints   shihao
• alchemical change calculations   Lekpa Duukori
  • [CP2K:2515] alchemical change calculations   Laino Teodoro
    • alchemical change calculations   yimanu
• QM/MM input   nagesh
  • [CP2K:2518] QM/MM input   Laino Teodoro
    • QM/MM input   nagesh
      • [CP2K:2520] Re: QM/MM input   Laino Teodoro
      • QM/MM input   nagesh
• Free-energy with constraint   Liu
  • [CP2K:2522] Free-energy with constraint   Laino Teodoro
    • [CP2K:2523] Free-energy with constraint   Liu
      • [CP2K:2524] Free-energy with constraint   Teodoro Laino
• about lammps   mehul21
  • [CP2K:2527] about lammps   Teodoro Laino
• fes.sopt error   Lekpa Duukori
  • [CP2K:2529] fes.sopt error   Teodoro Laino
  • [CP2K:2529] fes.sopt error   Teodoro Laino
    • fes.sopt error   yimanu
      • [CP2K:2532] Re: fes.sopt error   Teodoro Laino
      • fes.sopt error   yimanu
      • [CP2K:2534] Re: fes.sopt error   Laino Teodoro
• Questions about the section Mixing in the XAS calculation   zh
  • Questions about the section Mixing in the XAS calculation   marci

Last message date: Thu Jan 28 13:21:49 UTC 2010
Archived on: Thu Mar 3 11:47:27 UTC 2022

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