October 2007 Archives by author

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Starting: Tue Oct 2 09:34:14 UTC 2007
Ending: Wed Oct 31 18:04:15 UTC 2007
Messages: 69

• X atom kind in Force Filed parameter   Axel
• other questions about the calculation error   Axel
• forpar failure on newer linux machines with latest cvs   Axel
• forpar failure on newer linux machines with latest cvs   Axel
• Bad Performance on Power4/AIX   Axel
• [CP2K:306] Re: MM_KIND/QM_KIND atom type   Teodoro Laino
• [CP2K:311] Re: X atom kind in Force Filed parameter   Teodoro Laino
• [CP2K:313] Basis set generator   Teodoro Laino
• [CP2K:315] Minimization error with CG   Teodoro Laino
• [CP2K:317] Re: Minimization error with CG   Teodoro Laino
• [CP2K:317] Re: Minimization error with CG   Teodoro Laino
• [CP2K:320] Re: Minimization error with CG   Teodoro Laino
• [CP2K:317] Re: Minimization error with CG   Teodoro Laino
• [CP2K:323] cp2k calculation error   Teodoro Laino
• [CP2K:327] other questions about the calculation error   Teodoro Laino
• [CP2K:330] Problems with TPSS functional and multiple basis sets...   Teodoro Laino
• [CP2K:333] High cutoff running problem   Teodoro Laino
• [CP2K:335] Geometry Optimization fails without proper messages   Teodoro Laino
• THERMOSTATs - PART 1   Teodoro Laino
• [CP2K:339] Re: Geometry Optimization fails without proper messages   Teodoro Laino
• [CP2K:338] Re: Geometry Optimization fails without proper messages   Teodoro Laino
• [CP2K:342] Re: High cutoff running problem   Teodoro Laino
• Geometry Optimization fails without proper messages   Teodoro Laino
• [CP2K:345] Re: Geometry Optimization fails without proper messages   Teodoro Laino
• [CP2K:347] Variable cell optimization   Teodoro Laino
• [CP2K:350] general CHARMM parameters for force field calculation in cp2k   Teodoro Laino
• [CP2K:352] Normal modes visualisation with molden   Teodoro Laino
• [CP2K:352] Normal modes visualisation with molden   Teodoro Laino
• [CP2K:356] Re: Normal modes visualisation with molden   Teodoro Laino
• [CP2K:359] forpar failure on newer linux machines with latest cvs   Teodoro Laino
• [CP2K:361] Re: forpar failure on newer linux machines with latest cvs   Teodoro Laino
• [CP2K:366] force field path integral simulations   Teodoro Laino
• [CP2K:370] Re: vdw correction   Teodoro Laino
• [CP2K:372] Re: vdw correction   Teodoro Laino
• [CP2K:369] Re: force field path integral simulations   Teodoro Laino
• MM_KIND/QM_KIND atom type   Luca
• X atom kind in Force Filed parameter   Luca
• Minimization error with CG   Luca
• Minimization error with CG   Luca
• Minimization error with CG   Luca
• [CP2K:290] Re: MM_KIND/QM_KIND atom type   Fawzi Mohamed
• [CP2K:308] Re: MM_KIND/QM_KIND atom type   Fawzi Mohamed
• [CP2K:330] Problems with TPSS functional and multiple basis sets...   Fawzi Mohamed
• [CP2K:338] Re: Geometry Optimization fails without proper messages   Fawzi Mohamed
• [CP2K:367] Re: force field path integral simulations   Fawzi Mohamed
• [CP2K:368] vdw correction   Fawzi Mohamed
• Geometry Optimization fails without proper messages   Rad
• Geometry Optimization fails without proper messages   Rad
• Geometry Optimization fails without proper messages   Rad
• Variable cell optimization   Rad
• force field path integral simulations   Anthony Reilly
• feature suggestion   Toon Verstraelen
• about energy calculation error   chun
• cp2k calculation error   chun
• other questions about the calculation error   chun
• High cutoff running problem   chun
• High cutoff running problem   chun
• vdw correction   lml... at gmail.com
• Basis set generator   jglezag
• Bad Performance on Power4/AIX   jschmidt
• Bad Performance on Power4/AIX   jschmidt
• [CP2K:371] Re: vdw correction   lmliu
• [CP2K:373] Re: vdw correction   lmliu
• general CHARMM parameters for force field calculation in cp2k   marc
• Problems with TPSS functional and multiple basis sets...   tusa
• Normal modes visualisation with molden   woody
• Normal modes visualisation with molden   woody
• Normal modes visualisation with molden   woody
• Normal modes visualisation with molden   woody

Last message date: Wed Oct 31 18:04:15 UTC 2007
Archived on: Thu Mar 3 11:47:22 UTC 2022

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