December 2008 Archives by subject

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Starting: Mon Dec 1 12:45:29 UTC 2008
Ending: Wed Dec 24 16:04:22 UTC 2008
Messages: 104

• "General Rules for posting HELP requests"   Teo
• [CP2K:1583] Re: Dcd file and VMD   Teodoro Laino
• [CP2K:1583] Re: Dcd file and VMD   Teodoro Laino
• [CP2K:1583] Re: Dcd file and VMD   Teodoro Laino
• [CP2K:1588] basis set for Ce   Juerg Hutter
• [CP2K:1589] Re: Isotopic dilution study   Laino Teodoro
• [CP2K:1591] Warning when using thermostat for only QM in QM/MM   Teodoro Laino
• [CP2K:1593] Re: Warning when using thermostat for only QM in QM/MM   Teodoro Laino
• [CP2K:1597] the Calculation about periodic system   Teodoro Laino
• [CP2K:1599] Constraints   Teodoro Laino
• [CP2K:1601] output problems   Teodoro Laino
• [CP2K:1602] Re: output problems   Jun Cheng
• [CP2K:1603] Re: output problems   Laino Teodoro
• [CP2K:1604] Re: output problems   Jun Cheng
• [CP2K:1605] Re: the Calculation about periodic system   Laino Teodoro
• [CP2K:1607] Re: output problems   Teodoro Laino
• [CP2K:1608] Re: output problems   Jun Cheng
• [CP2K:1609] Re: output problems   Teodoro Laino
• [CP2K:1610] Re: output problems   Jun Cheng
• [CP2K:1612] DFTB Zn   Teodoro Laino
• [CP2K:1612] DFTB Zn   Juerg Hutter
• [CP2K:1615] Re: DFTB Zn   Teodoro Laino
• [CP2K:1618] to generate basis sets   Laino Teodoro
• [CP2K:1620] Fixed atoms   Teodoro Laino
• [CP2K:1623] Re: to generate basis sets   Teodoro Laino
• [CP2K:1626] GRIMME and parameters   Juerg Hutter
• [CP2K:1629] Re: GRIMME and parameters   Juerg Hutter
• [CP2K:1631] Cell_optimization question   Laino Teodoro
• [CP2K:1632] Re: Cell_optimization question   Jun Cheng
• [CP2K:1637] Energy dependence on the position of the system in the box   Laino Teodoro
• [CP2K:1642] generic error message   Laino Teodoro
• [CP2K:1644] location of makefile   Laino Teodoro
• [CP2K:1644] location of makefile   Juerg Hutter
• [CP2K:1653] on scalapack requirement for parallel builds   Juerg Hutter
• [CP2K:1655] Compilation error on CRAY-XT3   Teodoro Laino
• [CP2K:1656] Re: Compilation error on CRAY-XT3   Shawn T. Brown
• [CP2K:1656] Re: Compilation error on CRAY-XT3   carlo antonio pignedoli
• [CP2K:1658] Re: Compilation error on CRAY-XT3   carlo antonio pignedoli
• [CP2K:1660] Re: Compilation error on CRAY-XT3   Teodoro Laino
• [CP2K:1661] Re: Compilation error on CRAY-XT3   carlo antonio pignedoli
• [CP2K:1663] PM6 - MTD - Matrix diagonalization failed   Teodoro Laino
• [CP2K:1663] PM6 - MTD - Matrix diagonalization failed   Teodoro Laino
• [CP2K:1666] Re: PM6 - MTD - Matrix diagonalization failed   Teodoro Laino
• [CP2K:1667] Compilation error on CRAY-XT3   Teodoro Laino
• [CP2K:1670] Re: PM6 - MTD - Matrix diagonalization failed   Francesco Ragone
• [CP2K:1674] wall clock limit   Laino Teodoro
• [CP2K:1675] Re: wall clock limit   Ondrej Marsalek
• [CP2K:1677] libint wrapper for Intel compiler   Teodoro Laino
• [CP2K:1678] Re: libint wrapper for Intel compiler   Lukasz Walewski
• [CP2K:1679] Re: libint wrapper for Intel compiler   Teodoro Laino
• [CP2K:1680] Re: libint wrapper for Intel compiler   Lukasz Walewski
• [CP2K:1681] Re: libint wrapper for Intel compiler   Teodoro Laino
• [CP2K:1683] TPSS pseudopotential   Juerg Hutter
• [CP2K:1685] Re: PM6 - MTD - Matrix diagonalization failed   Laino Teodoro
• About spin multiplicity   李福君 Li Fujun
• About spin multiplicity   ilya
• About spin multiplicity   lifj
• basis set for Ce   Eduardo Menendez-Proupin
• basis set Ru   Francesco
• Cell_optimization question   Jun
• Compilation error on CRAY-XT3   carlo antonio pignedoli
• Compilation error on CRAY-XT3   Axel
• Compilation error on CRAY-XT3   Jörg Saßmannshausen
• Constraints   ilya
• Dcd file and VMD   ilya
• DFTB Zn   Ben Levine
• DFTB Zn   Ben Levine
• DFTB Zn   Ben Levine
• Energy dependence on the position of the system in the box   ilya
• Energy dependence on the position of the system in the box   ilya
• Fixed atoms   lml... at gmail.com
• Fixed atoms   lml... at gmail.com
• generic error message   Ondrej Marsalek
• GRIMME and parameters   Daniele Passerone
• GRIMME and parameters   Daniele Passerone
• Intel Fortran Compiler   Jörg Saßmannshausen
• Intel Fortran Compiler   ilya
• Intel Fortran Compiler   Axel
• Isotopic dilution study   Eric Shamay
• Isotopic dilution study   Eric Shamay
• Isotopic dilution study   Eric Shamay
• libint wrapper for Intel compiler   Lukasz Walewski
• location of makefile   Axel
• location of makefile   ilya
• location of makefile   Axel
• location of makefile   ilya
• location of makefile   Axel
• on scalapack requirement for parallel builds   Axel
• output problems   Jun
• PM6 - MTD - Matrix diagonalization failed   Francesco
• PM6 - MTD - Matrix diagonalization failed   Francesco
• segmentation fault   Jun
• segmentation fault   Axel
• segmentation fault   Jun
• the Calculation about periodic system   lifj
• the Calculation about periodic system   lifj
• to generate basis sets   lifj
• to generate basis sets   lifj
• to generate basis sets   flo
• to generate basis sets   lifj
• TPSS pseudopotential   Alex Kargovsky
• wall clock limit   Ondrej Marsalek
• Warning when using thermostat for only QM in QM/MM   yimanu
• Warning when using thermostat for only QM in QM/MM   yimanu

Last message date: Wed Dec 24 16:04:22 UTC 2008
Archived on: Thu Mar 3 11:47:25 UTC 2022

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