March 2008 Archives by subject

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Starting: Tue Mar 4 16:39:57 UTC 2008
Ending: Mon Mar 31 18:50:50 UTC 2008
Messages: 187

• [CP2K:/] Re: g95 errors   Teodoro Laino
• [CP2K:347] Variable cell optimization   Teodoro Laino
• [CP2K:722] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:724] DFTB   Juerg Hutter
• [CP2K:724] DFTB   Bálint Aradi
• [CP2K:726] Re: recentering option for isolated system calculations   Juerg Hutter
• [CP2K:729] Re: recentering option for isolated system calculations   teodoro laino
• [CP2K:730] Re: DFTB   Juerg Hutter
• [CP2K:735] Re: Parameters   Jack Shultz
• [CP2K:735] Re: Parameters   Jack Shultz
• [CP2K:737] CP2K in IBM PWR5 machinces   Teodoro Laino
• [CP2K:738] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:739] Re: CP2K in IBM PWR5 machinces   Teodoro Laino
• [CP2K:740] Re: CP2K in IBM PWR5 machinces   Fawzi Mohamed
• [CP2K:741] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:742] Re: CP2K in IBM PWR5 machinces   Teodoro Laino
• [CP2K:743] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:743] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:745] Re: CP2K in IBM PWR5 machinces   Teodoro Laino
• [CP2K:746] Re: CP2K in IBM PWR5 machinces   Fawzi Mohamed
• [CP2K:747] using empirical VDW correction with CP2K   lmliu
• [CP2K:747] using empirical VDW correction with CP2K   lmliu
• [CP2K:748] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:751] Re: using empirical VDW correction with CP2K   Teodoro Laino
• [CP2K:753] Re: using empirical VDW correction with CP2K   lmliu
• [CP2K:755] file overwrite instead of append.   Teodoro Laino
• [CP2K:757] Parameter choice for GAPW   Marcella Iannuzzi
• [CP2K:758] Re: file overwrite instead of append.   Teodoro Laino
• [CP2K:760] nose thermostat   Teodoro Laino
• [CP2K:760] nose thermostat   Teodoro Laino
• [CP2K:763] Re: parallel distribution of data   Teodoro Laino
• [CP2K:764] Re: nose thermostat   Teodoro Laino
• [CP2K:765] Re: nose thermostat   Nichols A. Romero
• [CP2K:766] selective "soft" exit?   Teodoro Laino
• [CP2K:766] selective "soft" exit?   Teodoro Laino
• [CP2K:767] Re: nose thermostat   Teodoro Laino
• [CP2K:768] Re: nose thermostat   Diederica Claeys
• [CP2K:769] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:770] Re: parallel distribution of data   Teodoro Laino
• [CP2K:772] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:773] Re: parallel distribution of data   Teodoro Laino
• [CP2K:777] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:778] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:781] Re: Parameter choice for GAPW   Teodoro Laino
• [CP2K:784] Re: parallel distribution of data   Teodoro Laino
• [CP2K:788] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:788] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:794] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:794] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:795] gfortran error compiling with libint/PM6 question   Teodoro Laino
• [CP2K:797] Re: nose thermostat   Diederica Claeys
• [CP2K:800] Re: nose thermostat   Teodoro Laino
• [CP2K:801] Re: nose thermostat   Diederica Claeys
• [CP2K:802] Re: nose thermostat   Teodoro Laino
• [CP2K:802] Re: nose thermostat   Teodoro Laino
• [CP2K:803] Re: Unit of velocity   Teodoro Laino
• [CP2K:804] Re: Unit of velocity   Nichols A. Romero
• [CP2K:808] how to get the "total" electron density   Marcella Iannuzzi
• [CP2K:809] applicability of TEMP_TOL to thermostat regions...   Teodoro Laino
• [CP2K:813] Re: how to get the "total" electron density   Fawzi Mohamed
• [CP2K:816] Re: applicability of TEMP_TOL to thermostat regions...   Teodoro Laino
• [CP2K:818] Re: applicability of TEMP_TOL to thermostat regions...   Fawzi Mohamed
• [CP2K:819] Re: parallel distribution of data   Teodoro Laino
• [CP2K:820] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:821] Re: applicability of TEMP_TOL to thermostat regions...   Teodoro Laino
• [CP2K:823] Re: parallel distribution of data   Teodoro Laino
• [CP2K:824] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:826] Re: parallel distribution of data   Teodoro Laino
• [CP2K:834] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:837] Re: CP2K in IBM PWR5 machinces   LIANG Yunfeng
• [CP2K:840] Viewing HOMO and LUMO orbitals in a system   Teodoro Laino
• [CP2K:842] g95 errors   Teodoro Laino
• [CP2K:842] g95 errors   Fawzi Mohamed
• [CP2K:842] g95 errors   Teodoro Laino
• [CP2K:851] Re: g95 errors   Juerg Hutter
• [CP2K:853] Re: g95 errors   Teodoro Laino
• [CP2K:854] Re: g95 errors   LIANG Yunfeng
• [CP2K:862] Re: g95 errors   Fawzi Mohamed
• [CP2K:864] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:864] Re: parallel distribution of data   Nichols A. Romero
• [CP2K:867] Bugs and tests   Teodoro Laino
• [CP2K:868] Re: Bugs and tests   carlo antonio pignedoli
• [CP2K:873] performance on Linux Opteron cluster   Teodoro Laino
• [CP2K:875] Re: performance on Linux Opteron cluster   LIANG Yunfeng
• [CP2K:879] GENPOT problem   Teodoro Laino
• [CP2K:881] units update?   Teodoro Laino
• [CP2K:887] Re: Variable cell optimization   Teodoro Laino
• [CP2K:888] Re: Variable cell optimization   Nichols A. Romero
• [CP2K:889] Re: units update?   Teodoro Laino
• [CP2K:895] Re: units update?   Teodoro Laino
• [CP2K:896] Re: units update?   Fawzi Mohamed
• [CP2K:901] a question   Teodoro Laino
• [CP2K:902] Re: Variable cell optimization   Nichols A. Romero
• [CP2K:906] QMMM periodic input clarification   Teodoro Laino
• [CP2K:909] Re: cholesky error during wave function optimization   Juerg Hutter
• applicability of TEMP_TOL to thermostat regions...   Axel
• applicability of TEMP_TOL to thermostat regions...   Axel
• applicability of TEMP_TOL to thermostat regions...   Axel
• a question   chaishuo
• Bugs and tests   carlo antonio pignedoli
• Bugs and tests   Axel
• cholesky error during wave function optimization   Ali
• cholesky error during wave function optimization   Matthias
• cholesky error during wave function optimization   Rad
• cholesky error during wave function optimization   Ali
• cholesky error during wave function optimization   Matt W
• Compiling in AMD Opteron using G95   LIANG Yunfeng
• Compiling in AMD Opteron using G95   LIANG Yunfeng
• Compiling in AMD Opteron using G95   LIANG Yunfeng
• cp2k-mode updated   Axel
• cp2k-mode updated   Axel
• CP2K in IBM PWR5 machinces   LIANG Yunfeng
• CP2K in IBM PWR5 machinces   Axel
• CP2K in IBM PWR5 machinces   Axel
• CP2K in IBM PWR5 machinces   Axel
• CP2K in IBM PWR5 machinces   Axel
• DFTB   Ben Levine
• DFTB   Ben Levine
• file overwrite instead of append.   Axel
• file overwrite instead of append.   Axel
• Fwd: [CP2K:/] Re: g95 errors   Teodoro Laino
• Fwd: [CP2K:/] Re: g95 errors   radsci2008
• Fwd: [CP2K:844] Re: g95 errors   Teodoro Laino
• Fwd: [CP2K:897] Re: units update?   Teodoro Laino
• Fwd: [CP2K:897] Re: units update?   Matthias
• g95 errors   radsci2008
• g95 errors   mguidon
• g95 errors   Axel
• g95 errors   radsci2008
• g95 errors   radsci2008
• g95 errors   radsci2008
• g95 errors   radsci2008
• g95 errors   Axel
• GENPOT problem   Ben Levine
• GENPOT problem   Ben Levine
• gfortran error compiling with libint/PM6 question   radsci2008
• how to get the "total" electron density   Axel
• how to get the "total" electron density   Matthias
• how to get the "total" electron density   Axel
• how to get the "total" electron density   Matthias
• how to get the "total" electron density   Axel
• meaning of cube files for HOMO and LUMO   Ali
• meaning of cube files for HOMO and LUMO   flo
• Mulliken/Lowdin/Spin Densities with SE/NDDO/DFTB??   radsci2008
• nose thermostat   Diederica
• nose thermostat   Diederica Claeys
• parallel distribution of data   Matt W
• parallel distribution of data   Matt W
• parallel distribution of data   Axel
• parallel distribution of data   Matt W
• parallel distribution of data   Matt W
• parallel distribution of data   Axel
• parallel distribution of data   Matt W
• parallel distribution of data   Matt W
• parallel distribution of data   Matt W
• parallel distribution of data   Matt W
• parallel distribution of data   Matt W
• Parameter choice for GAPW   Axel
• Parameter choice for GAPW   Axel
• Parameters   Jack Shultz
• Parameters   sgiani
• Parameters   Axel
• performance on Linux Opteron cluster   LIANG Yunfeng
• QMMM periodic input clarification   Ben Levine
• query on basis set of Pd   Axel
• recentering option for isolated system calculations   Axel
• recentering option for isolated system calculations   Rad
• recentering option for isolated system calculations   Axel
• recentering option for isolated system calculations   Axel
• selective "soft" exit?   Axel
• single precision compile broken   Nick
• single precision compile broken   Axel
• sodium pseudo   ivaylo
• sodium pseudo   Axel
• Unit of velocity   Rad
• units update?   Axel
• units update?   Matthias
• units update?   Axel
• units update?   Matthias
• units update?   Matthias
• units update?   Matthias
• using empirical VDW correction with CP2K   Axel
• using empirical VDW correction with CP2K   Axel
• Variable cell optimization   Rad
• Variable cell optimization   Rad
• Variable cell optimization   Rad
• Viewing HOMO and LUMO orbitals in a system   Ali

Last message date: Mon Mar 31 18:50:50 UTC 2008
Archived on: Thu Mar 3 11:47:23 UTC 2022

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