September 2013 Archives by thread

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Starting: Sun Sep 1 17:03:44 UTC 2013
Ending: Mon Sep 30 22:20:22 UTC 2013
Messages: 55

• Reference cell in case of monoclinic system   satya
• stress tensor for NPT_F   satya
• constrained MD -- Energy jumps   Sandeep Kumar Reddy
• BAND calculation and cell parameters   Massimo Delle Piane
  • [CP2K:4599] BAND calculation and cell parameters   Teodoro Laino
    • [CP2K:4599] BAND calculation and cell parameters   Massimo Delle Piane
• [CP2K:4585] IR of H2O molecule   JianJun Yang
• problem in NPT_F simulations   satya
• CfP: 4th International Workshop on Model-driven Approaches for Simulation Engineering (Mod4Sim) part of the Symposium on Theory of Modeling and Simulation (SCS SpringSim 2014)   daniele
• ifort 12.1 bug?   Noam Bernstein
  • [CP2K:4604] ifort 12.1 bug?   Ole Schütt
• print induced dipole in classical MD   jianbia... at gmail.com
• build_libsmm generate small1   Joe Greenstone
  • build_libsmm generate small1   Alfio Lazzaro
    • build_libsmm generate small1   Joe Greenstone
    • build_libsmm generate small1   Joe Greenstone
      • build_libsmm generate small1   Alfio Lazzaro
  • build_libsmm generate small1   Alfio Lazzaro
• ALMO   Joe Greenstone
  • [CP2K:4613] ALMO   hut... at pci.uzh.ch
• [CP2K:4615] help me I spent a lot of time to do these four things   Marcella Iannuzzi
• energy drift in NPT MD simulation   satya
  • energy drift in NPT MD simulation   Matt W
    • [CP2K:4619] Re: energy drift in NPT MD simulation   Bonakala Satyanarayana
      • [CP2K:4619] Re: energy drift in NPT MD simulation   hut... at pci.uzh.ch
    • [CP2K:4619] Re: energy drift in NPT MD simulation   Ari Paavo Seitsonen
      • [CP2K:4620] Re: energy drift in NPT MD simulation   Bonakala Satyanarayana
      • [CP2K:4622] Re: energy drift in NPT MD simulation   Ari Paavo Seitsonen
• error : during NPT simulation   satya
  • [CP2K:4625] error : during NPT simulation   Marcella Iannuzzi
    • [CP2K:4625] error : during NPT simulation   Bonakala Satyanarayana
      • [CP2K:4627] error : during NPT simulation   Teodoro Laino
      • [CP2K:4628] error : during NPT simulation   Bonakala Satyanarayana
      • [CP2K:4629] error : during NPT simulation   Teodoro Laino
      • [CP2K:4630] error : during NPT simulation   Bonakala Satyanarayana
• La basis set   Ross, Sun
• restarting NEB calculations.   Jörg Saßmannshausen
  • [CP2K:4633] restarting NEB calculations.   Teodoro Laino
• Tran Blaha 09   Sascha Brück
• fftw3 error problem   Donato Pera
  • [CP2K:4637] fftw3 error problem   Iain Bethune
    • [CP2K:4637] fftw3 error problem   Donato Pera
      • [CP2K:4639] fftw3 error problem   Iain Bethune
• any known issues for cp2k/2.4 with Openmpi 1.6.5?   cristia... at gmail.com
  • [CP2K:4641] any known issues for cp2k/2.4 with Openmpi 1.6.5?   Ari Paavo Seitsonen
    • [CP2K:4641] any known issues for cp2k/2.4 with Openmpi 1.6.5?   Iain Bethune
      • [CP2K:4641] any known issues for cp2k/2.4 with Openmpi 1.6.5?   cristia... at gmail.com
    • [CP2K:4641] any known issues for cp2k/2.4 with Openmpi 1.6.5?   cristia... at gmail.com
      • [CP2K:4648] any known issues for cp2k/2.4 with Openmpi 1.6.5?   Jörg Saßmannshausen
• Cp2k compiled but some test files fail   Samuel Lamphier
  • [CP2K:4644] Cp2k compiled but some test files fail   Iain Bethune
    • [CP2K:4644] Cp2k compiled but some test files fail   Joe Greenstone
      • [CP2K:4646] Cp2k compiled but some test files fail   Iain Bethune
• POSTDOCTORAL POSITION AVAILABLE IMMEDIATELY AT CARLETON UNIVERSITY   Carlos Campana
• The correction of the mean force to calculation of free energy in CP2K   YE-FEI LI

Last message date: Mon Sep 30 22:20:22 UTC 2013
Archived on: Thu Mar 3 11:47:31 UTC 2022

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