July 2012 Archives by author

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Starting: Sun Jul 1 08:08:58 UTC 2012
Ending: Tue Jul 31 18:00:09 UTC 2012
Messages: 72

• dbcsr matrix help   Adam
• [CP2K:3930] dbcsr matrix help   Adam
• Quick DBCSR matrix question   Adam
• QM/MM grid generation error   Noam Bernstein
• QM/MM grid generation error   Noam Bernstein
• [CP2K:3948] pw_grid_assign error   Noam Bernstein
• Not in Re: [CP2K:3948] pw_grid_assign error   Noam Bernstein
• [CP2K:3880] Re: cp2k on IBM Blue Gene   Iain Bethune
• [CP2K:3935] Cray XE6 NAN Errors   Iain Bethune
• [CP2K:3937] Cray XE6 NAN Errors   Iain Bethune
• [CP2K:3911] Installation problem with gfortran   Urban Borštnik
• [CP2K:3913] Installation problem with gfortran   Urban Borštnik
• [CP2K:3930] dbcsr matrix help   Urban Borštnik
• Constraint warning with AMBER PDB file   Chuong
• Force matching with CP2K   Chuong
• Cray XE6 NAN Errors   DEC014
• [CP2K:3935] Cray XE6 NAN Errors   DEC014
• Basis set generation help   Das
• Basis set generation help   Das
• [CP2K:3900] Installation problem with gfortran   Alin M Elena
• [CP2K:3909] Installation problem with gfortran   Alin M Elena
• [CP2K:3918] Cholesky error / parallel cp2k trunk   Alin M Elena
• Programs to Plot Cube files and pdos   Samuel Lamphier
• PES Scan B3LYP   Lavinia
• [CP2K:3895] Installation problem with gfortran   Ruibin Liang
• [CP2K:3897] Installation problem with gfortran   Ruibin Liang
• [CP2K:3882] Re: cp2k running speed drops dramatically   Chetan Mahajan
• [CP2K:3882] Re: cp2k running speed drops dramatically   Chetan Mahajan
• [CP2K:3922] Programs to Plot Cube files and pdos   Ondrej Marsalek
• plotting Density Of States   Nikita
• Cholesky error / parallel cp2k trunk   Süle Péter
• [CP2K:3903] Problem with singlet and triplet state calculation with CP2K   Zamaan Raza
• [CP2K:3905] Problem with singlet and triplet state calculation with CP2K   Zamaan Raza
• high binding energy   Sandeep Kumar Reddy
• high binding energy   Sandeep Kumar Reddy
• [CP2K:3890] Re: high binding energy   Sandeep Kumar Reddy
• [CP2K:3891] high binding energy   Sandeep Kumar Reddy
• Restraint in QMMM   Ruibin
• what happened to LAST.tar.gz?   Jörg Saßmannshausen
• [CP2K:3907] Installation problem with gfortran   Jörg Saßmannshausen
• cp2k running speed drops dramatically   Matt W
• high binding energy   Matt W
• [CP2K:3897] Installation problem with gfortran   Matt W
• problem when printing MO eigenvalues   Wei
• need help to prepare my first QM/MM input   Yue
• pw_grid_assign error   Yue
• [CP2K:3947] pw_grid_assign error   Yue
• Installation problem with gfortran   ayse arslanargin
• [CP2K:3896] Installation problem with gfortran   ayse arslanargin
• [CP2K:3900] Installation problem with gfortran   ayse arslanargin
• [CP2K:3901] Installation problem with gfortran   ayse arslanargin
• [CP2K:3908] Installation problem with gfortran   ayse arslanargin
• [CP2K:3910] Installation problem with gfortran   ayse arslanargin
• [CP2K:3912] Installation problem with gfortran   ayse arslanargin
• [CP2K:3914] Installation problem with gfortran   ayse arslanargin
• Problem with Singlet and Triplet spin state calculation   bharat
• Problem with singlet and triplet state calculation with CP2K   bharat
• [CP2K:3903] Problem with singlet and triplet state calculation with CP2K   bharat
• [CP2K:3905] Problem with singlet and triplet state calculation with CP2K   bharat
• mixed force evals   marc
• Call for papers - Advanced chemistry Letters   kaliappan muthukumar
• Themed Issue on Doped nano structures - Call for Papers   kaliappan muthukumar
• Apply_Delta_Pulse: dipole moments are the same for each direction   nadler
• [CP2K:3943] QM/MM grid generation error   chandan patel
• [CP2K:3886] high binding energy   hut... at pci.uzh.ch
• [CP2K:3926] problem when printing MO eigenvalues   hut... at pci.uzh.ch
• [CP2K:3939] Force matching with CP2K   hut... at pci.uzh.ch
• [CP2K:3942] PES Scan B3LYP   hut... at pci.uzh.ch
• [CP2K:3943] QM/MM grid generation error   hut... at pci.uzh.ch
• [CP2K:3947] pw_grid_assign error   hut... at pci.uzh.ch
• Ca basis set   sandeep
• hessian calculation   sandeep

Last message date: Tue Jul 31 18:00:09 UTC 2012
Archived on: Thu Mar 3 11:47:30 UTC 2022

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