May 2013 Archives by subject

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Starting: Wed May 1 10:25:56 UTC 2013
Ending: Wed May 29 16:51:49 UTC 2013
Messages: 40

• [CP2K:4373] FORCE_MIXING and QM TEMPERATURE   Teodoro Laino
• [CP2K:4391] amber torsion energy   Teodoro Laino
• [CP2K:4408] changes between 2.1 and 2.3/2.4-trunk inside calculate_dispersion_pairpot subroutine   hut... at pci.uzh.ch
• [CP2K:4408] changes between 2.1 and 2.3/2.4-trunk inside calculate_dispersion_pairpot subroutine   Marcin Zielinski
• [CP2K:4417] WANNIER FUNCTIONS   Pietro Vidossich
• [CP2K:4417] WANNIER FUNCTIONS   Vincenzo Verdolino
• [CP2K:4420] PLUMED patch for cp2k   Ralph Koitz
• [CP2K:4422] PLUMED patch for cp2k   Hanning Chen
• [CP2K:4426] Trying to instal cp2k using g95 it does't find yacc. See attached   Urban Borštnik
• [CP2K:4427] Trying to instal cp2k using g95 it does't find yacc. See attached   Michael Banck
• [CP2K:4435] neb : question about the number of scf optimizations for each band step for each replica   Teodoro Laino
• [CP2K:4435] neb : question about the number of scf optimizations for each band step for each replica   Teodoro Laino
• [CP2K:4439] neb : question about the number of scf optimizations for each band step for each replica   Teodoro Laino
• [CP2K:4443] QMMM Periodic   Teodoro Laino
• [CP2K:4443] QMMM Periodic   mark
• [CP2K:4452] Re: Error in charges increases every OUTER_SCF cycle.   John J. Low
• [CP2K:4452] Re: Error in charges increases every OUTER_SCF cycle.   Florian Schiffmann
• [CP2K:4458] neb : question about the number of scf optimizations for each band step for each replica   Andrea Floris
• [CP2K:4460] neb : question about the number of scf optimizations for each band step for each replica   Andrea Floris
• AD_LANGEVIN thermostat   Pietro Vidossich
• changes between 2.1 and 2.3/2.4-trunk inside calculate_dispersion_pairpot subroutine   Marcin Zielinski
• Convergence problems in XAS calculations   Johannes Niskanen
• Convergence problems in XAS calculations   marci
• error during compilation of cp2k version 2.4   satya
• error during compilation of cp2k version 2.4   satya
• Error in charges increases every OUTER_SCF cycle.   John
• Error in charges increases every OUTER_SCF cycle.   Florian Schiffmann
• neb : question about the number of scf optimizations for each band step for each replica   afloris
• PLUMED patch for cp2k   Hanning Chen
• QMMM Periodic   mark
• Re.： [CP2K:4431] Error in charges increases every OUTER_SCF cycle.   shoutian sun
• simulating vibrational spectra in the solid state, help me!   Glaucio
• simulating vibrational spectra in the solid state, help me!   Florian Schiffmann
• simulating vibrational spectra in the solid state, help me!   Daria
• simulating vibrational spectra in the solid state, help me!   Florian Schiffmann
• simulating vibrational spectra in the solid state, help me!   Daria
• Trying to instal cp2k using g95 it does't find yacc. See attached   Victor Calvo
• WANNIER FUNCTIONS   vincenzo verdolino
• WARNING printed by performing metadyn test from regtest-15   Ider
• 回复： [CP2K:4414] error during compilation of cp2k version 2.4   shoutian sun

Last message date: Wed May 29 16:51:49 UTC 2013
Archived on: Thu Mar 3 11:47:31 UTC 2022

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