May 2011 Archives by subject

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Starting: Thu May 5 18:46:54 UTC 2011
Ending: Tue May 31 18:16:35 UTC 2011
Messages: 56

• [CP2K:3228] spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom   Valerio Bellini
• [CP2K:3228] spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom   Valerio Bellini
• [CP2K:3228] spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom   Valerio Bellini
• [CP2K:3234] status of hybrid OpenMP+MPI version   Urban Borštnik
• [CP2K:3234] status of hybrid OpenMP+MPI version   Axel
• [CP2K:3237] status of hybrid OpenMP+MPI version   Urban Borštnik
• [CP2K:3237] status of hybrid OpenMP+MPI version   Axel
• [CP2K:3237] status of hybrid OpenMP+MPI version   Axel
• [CP2K:3240] QM/MM topology error   Teodoro Laino
• [CP2K:3240] QM/MM topology error   Teodoro Laino
• [CP2K:3240] status of hybrid OpenMP+MPI version   Urban Borštnik
• [CP2K:3240] status of hybrid OpenMP+MPI version   Axel
• [CP2K:3240] status of hybrid OpenMP+MPI version   Axel
• [CP2K:3240] status of hybrid OpenMP+MPI version   Matt W
• [CP2K:3243] Re: QM/MM topology error   Teodoro Laino
• [CP2K:3255] Possible QM/MM Bug   Teodoro Laino
• [CP2K:3258] Re: QM/MM topology error   Teodoro Laino
• [CP2K:3261] Re: QM/MM topology error   Teodoro Laino
• [CP2K:3263] cp2k with gfortran 4.6.0 compiles but fails later on when testing   Urban Borštnik
• [CP2K:3264] cp2k with gfortran 4.6.0 compiles but fails later on when testing   Carlos Campana
• [CP2K:3267] COM moves after restarting calculation   Teodoro Laino
• [CP2K:3268] Re: COM moves after restarting calculation   Teodoro Laino
• [CP2K:3270] Re: Normal modes of pyridine   Hanning Chen
• [CP2K:3271] B3LYP   hut... at pci.uzh.ch
• [CP2K:3277] THE ODISSEY OF CP2K; THE LONG WAY BACK TO ITHACA   Teodoro Laino
• B3LYP   jacopos
• COM moves after restarting calculation   LS
• COM moves after restarting calculation   LS
• cp2k with gfortran 4.6.0 compiles but fails later on when testing   Carlos Campana
• EFIELD   marco masia
• fix molecular axis along body diagnol - Constraints   Sandeep Kumar Reddy
• fluctuations of different CVs.   Ross, Sun
• Gas phase geometry optimization using wavelet - warning   Philipp Marquetand
• graphical user interface for cp2k   2horns
• Normal modes of pyridine   Philipp
• Normal modes of pyridine   Philipp
• Normal modes of pyridine   Philipp
• paramagnetic spin-orbit (PSO) matrix   Hanning Chen
• Possible QM/MM Bug   Isaiah Sumner
• Possible QM/MM Bug   Isaiah Sumner
• Postdoctoral Research Position: Ab-Initio Dynamics of Condensed Matter   tkuehne
• QM/MM topology error   Michal Kochman
• QM/MM topology error   Michal Kochman
• QM/MM topology error   Michal Kochman
• QM/MM topology error   Michal Kochman
• rCAM-B3LYP functional   Ondrej Marsalek
• spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom   Gabriele Tocci
• spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom   Gabrielet=16
• status of hybrid OpenMP+MPI version   Axel
• THE ODISSEY OF CP2K; THE LONG WAY BACK TO ITHACA   Francesco Filippone
• THE ODISSEY OF CP2K; THE LONG WAY BACK TO ITHACA   Axel
• Total energy Conservation in metadynamics   Ata Roudgar
• 回复： [CP2K:3247] status of hybrid OpenMP+MPI version   shoutian sun
• Re: 回复： [CP2K:3247] status of hybrid OpenMP+MPI version   Axel
• 回复： [CP2K:3251] status of hybrid OpenMP+MPI version   Jörg Saßmannshausen
• Re: 回复： [CP2K:3251] status of hybrid OpenMP+MPI version   Axel

Last message date: Tue May 31 18:16:35 UTC 2011
Archived on: Thu Mar 3 11:47:28 UTC 2022

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