June 2011 Archives by date

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Starting: Thu Jun 2 08:41:03 UTC 2011
Ending: Thu Jun 30 22:33:43 UTC 2011
Messages: 65

• LANGEVIN for CV   Ross, Sun
• TZV2P basis set for Bromine   rupa
• [CP2K:3283] TZV2P basis set for Bromine   hut... at pci.uzh.ch
• Stress tensor in QMMM calculations   Frank Uhlig
• [CP2K:3285] Stress tensor in QMMM calculations   Teodoro Laino
• BG/P allocation available through U.S. DOE INCITE program   Nichols A. Romero
• Stress tensor in QMMM calculations   Matt McGrath
• dbcsr multiply question   Alin Marin Elena
• [CP2K:3289] dbcsr multiply question   Urban Borštnik
• [CP2K:3288] Re: Stress tensor in QMMM calculations   Frank Uhlig
• Coordinates of QM/MM link atoms   Vladimir Mironov
• [CP2K:3292] Coordinates of QM/MM link atoms   Teodoro Laino
• THE ODISSEY OF CP2K; THE LONG WAY BACK TO ITHACA   Francesco Filippone
• THE ODISSEY OF CP2K; THE LONG WAY BACK TO ITHACA   Axel
• how to build on AIX power 7   2horns
• [CP2K:3296] how to build on AIX power 7   Teodoro Laino
• how to build on AIX power 7   2horns
• regression?   Alin Marin Elena
• [CP2K:3299] regression?   Urban Borštnik
• [CP2K:3300] regression?   Alin Marin Elena
• [CP2K:3300] regression?   Alin Marin Elena
• [CP2K:3300] regression?   Alin Marin Elena
• [CP2K:3303] regression?   Urban Borštnik
• [CP2K:3304] regression?   Alin Marin Elena
• using REFTRAJ   jadefox337
• Testing Saddle Point on FES   Janos... at googlemail.com
• [CP2K:3306] using REFTRAJ   marcella Iannuzzi
• [CP2K:3307] Testing Saddle Point on FES   marcella Iannuzzi
• using REFTRAJ   jadefox337
• using REFTRAJ   jadefox337
• [CP2K:3281] cp2k with gfortran 4.6.0 compiles but fails later on when testing   Urban Borštnik
• hybrid monte carlo and cp2k   Alin Marin Elena
• hybrid monte carlo and cp2k   Matt McGrath
• [CP2K:2545] Constraint warning with AMBER PDB file   marco.stenta
• [CP2K:3316] Constraint warning with AMBER PDB file   Teodoro Laino
• Constraint warning with AMBER PDB file   marco.stenta
• Compilation error with openmp   Sandeep Kumar Reddy
• [CP2K:3318] Compilation error with openmp   Alin Marin Elena
• [CP2K:3319] Compilation error with openmp   Iain Bethune
• [CP2K:3320] Compilation error with openmp   Alin Marin Elena
• Compilation error with openmp   sandeep
• [CP2K:3314] Re: hybrid monte carlo and cp2k   Alin Marin Elena
• force output 1 frame per file   Noam Bernstein
• hybrid monte carlo and cp2k   Matt McGrath
• untested_inputs Aborted   vijay amirtharaj
• untested_inputs Aborted   Axel
• QM/MM in non-orthorhombic cell   Michal Kochman
• [CP2K:3328] QM/MM in non-orthorhombic cell   Laino Teodoro
• QM/MM in non-orthorhombic cell   Michal Kochman
• QM/MM in non-orthorhombic cell   Matt W
• QM/MM in non-orthorhombic cell   Michal Kochman
• untested_inputs Aborted   vijay amirtharaj
• how to build on AIX power 7   2horns
• [CP2K:3325] Re: hybrid monte carlo and cp2k   Alin Marin Elena
• hybrid monte carlo and cp2k   Matt McGrath
• Constraints with GEO_OPT do not work (FIST calculation)   Gabriele Tocci
• Constraints with GEO_OPT do not work (FIST calculation)   Matt W
• Constraints with GEO_OPT do not work (FIST calculation)   Gabriele Tocci
• ERROR in topology_generate_molecule   Papy
• Antwort: [CP2K:3340] ERROR in topology_generate_molecule   hut... at pci.uzh.ch
• Antwort: [CP2K:3340] ERROR in topology_generate_molecule   Papy
• Antwort: [CP2K:3340] ERROR in topology_generate_molecule   Papy
• Antwort: [CP2K:3340] ERROR in topology_generate_molecule   Papy
• Antwort: [CP2K:3344] ERROR in topology_generate_molecule   Teodoro Laino
• Antwort: [CP2K:3344] ERROR in topology_generate_molecule   marco.stenta

Last message date: Thu Jun 30 22:33:43 UTC 2011
Archived on: Thu Mar 3 11:47:28 UTC 2022

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