March 2012 Archives by subject

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Starting: Thu Mar 1 17:43:48 UTC 2012
Ending: Sat Mar 31 14:32:06 UTC 2012
Messages: 42

• ***Extended deadline: March 26*** COMETS 2012 - 3rd International Track on Collaborative Modeling and Simulation - Call for Papers   daniele
• [CP2K:3736] patch for FreeBSD support   hut... at pci.uzh.ch
• [CP2K:3739] cp2k on IBM Blue Gene   Iain Bethune
• [CP2K:3741] Re: cp2k on IBM Blue Gene   Iain Bethune
• [CP2K:3743] C NMR info   hut... at pci.uzh.ch
• [CP2K:3746] Cartesian vs. spherical Gaussians in Quickstep   hut... at pci.uzh.ch
• [CP2K:3748] Cartesian vs. spherical Gaussians in Quickstep   Ondrej Marsalek
• [CP2K:3748] Cartesian vs. spherical Gaussians in Quickstep   Ondrej Marsalek
• [CP2K:3754] Atoms are not relaxing, but successful optimization   Petko Petkov
• [CP2K:3765] Quickly building CP2K under Ubuntu 11.10.   Michael Banck
• [CP2K:3767] Printing of orbital basis set in spherical Gaussians   hut... at pci.uzh.ch
• [CP2K:3771] Remove fixed_atoms after few steps during optimization   Teodoro Laino
• [CP2K:3772] Remove fixed_atoms after few steps during optimization   Sandeep Kumar Reddy
• Atoms are not relaxing, but successful optimization   Samuel Lamphier
• Atoms are not relaxing, but successful optimization   Nathaniel Swenson
• Atoms are not relaxing, but successful optimization   Matt W
• Atoms are not relaxing, but successful optimization   Samuel Lamphier
• Atoms are not relaxing, but successful optimization   Matt W
• Atoms are not relaxing, but successful optimization   Samuel Lamphier
• Atoms are not relaxing, but successful optimization   Matt W
• Broken link on website   Ondrej Marsalek
• Bug in electron density cube files from GAPW calculations   Ondrej Marsalek
• Cartesian vs. spherical Gaussians in Quickstep   Ondrej Marsalek
• CELL_OPT keyword   Sandeep Kumar Reddy
• C NMR info   Raffaele Credendino
• compiler error using LInux_x86-64-g95.sopt unclassifiable statement   Milky Way
• cp2k on IBM Blue Gene   Wei
• cp2k on IBM Blue Gene   Wei
• density cutoff value for stress convergence   Sandeep Kumar Reddy
• Excited state Ehrenfest Dynamics   Nathaniel Swenson
• Excited state Ehrenfest Dynamics   flo
• is use of a restraint for pmf calculations valid?   garold
• optimize input problem   sbart
• Orbital transformation and MO output   Ondrej Marsalek
• patch for FreeBSD support   Johannes Dieterich
• patch for FreeBSD support   Johannes Dieterich
• Printing of orbital basis set in spherical Gaussians   Ondrej Marsalek
• QM/MM electrostatic coupling and number of replicas   Frank Uhlig
• Quickly building CP2K under Ubuntu 11.10.   Urban Borštnik
• Quickly building CP2K under Ubuntu 11.10.   Milky Way
• Remove fixed_atoms after few steps during optimization   Sandeep Kumar Reddy
• Using the B97-D functional   Michael Fischer

Last message date: Sat Mar 31 14:32:06 UTC 2012
Archived on: Thu Mar 3 11:47:29 UTC 2022

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