April 2011 Archives by subject

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Starting: Tue Apr 5 02:04:06 UTC 2011
Ending: Fri Apr 29 21:20:19 UTC 2011
Messages: 63

• [CP2K:3165] error in bond dissociation energy of gas phase molecule   Jun Cheng
• [CP2K:3165] error in bond dissociation energy of gas phase molecule   hut... at pci.uzh.ch
• [CP2K:3167] error in bond dissociation energy of gas phase molecule   Teodoro Laino
• [CP2K:3168] Re: error in bond dissociation energy of gas phase molecule   Teodoro Laino
• [CP2K:3169] error in bond dissociation energy of gas phase molecule   hut... at pci.uzh.ch
• [CP2K:3171] error in bond dissociation energy of gas phase molecule   Teodoro Laino
• [CP2K:3171] error in bond dissociation energy of gas phase molecule   Teodoro Laino
• [CP2K:3175] Re: error in bond dissociation energy of gas phase molecule   Fawzi Mohamed
• [CP2K:3177] Re: error in bond dissociation energy of gas phase molecule   Teodoro Laino
• [CP2K:3177] Re: error in bond dissociation energy of gas phase molecule   Fawzi Mohamed
• [CP2K:3183] Re: error in bond dissociation energy of gas phase molecule   Teodoro Laino
• [CP2K:3185] Re: error in bond dissociation energy of gas phase molecule   hut... at pci.uzh.ch
• [CP2K:3191] How to Restart Vibrational Calculations?   Teodoro Laino
• [CP2K:3193] Re: problem converging molecule in doublet state   hut... at pci.uzh.ch
• [CP2K:3194] DKH relativistic effect with spin-orbit interaction ?   hut... at pci.uzh.ch
• [CP2K:3196] DKH relativistic effect with spin-orbit interaction ?   Hanning Chen
• [CP2K:3197] DKH relativistic effect with spin-orbit interaction ?   hut... at pci.uzh.ch
• [CP2K:3201] speeding up QM/MM   Teodoro Laino
• [CP2K:3203] Gas phase geometry optimization using wavelet - warning   Teodoro Laino
• [CP2K:3205] FIST bug?   Teodoro Laino
• [CP2K:3210] Re: FIST bug?   Noam Bernstein
• [CP2K:3210] Re: FIST bug?   Teodoro Laino
• [CP2K:3211] Re: FIST bug?   Teodoro Laino
• [CP2K:3216] real space grid decomposition   Laino Teodoro
• [CP2K:3217] real space grid decomposition   Noam Bernstein
• [CP2K:3221] Re: Restart file   hut... at pci.uzh.ch
• [CP2K:3224] tests/SE/regtest-2/ch2o_pm6.inp: array RECV_META has value 1 which is greater than the upper bound of 0   Urban Borštnik
• DKH relativistic effect with spin-orbit interaction ?   Hanning Chen
• dynamics - bulk water   jadefox337
• Effective Screening Medium (ESM) application in Charged Slab.   Ross, Sun
• Er basis sets   chgy
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Matt W
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• error in bond dissociation energy of gas phase molecule   Jun
• FIST bug?   Noam Bernstein
• FIST bug?   Matt W
• FIST bug?   Matt W
• Gas phase geometry optimization using wavelet - warning   Philipp Marquetand
• Gas phase geometry optimization using wavelet - warning   Ross, Sun
• Geometry optimization of benzene with PM6   Qiang Zhu
• How to Restart Vibrational Calculations?   StKolev
• Localization-Total_Dipole versus MOMENTS   Eric Shamay
• problem converging molecule in doublet state   garold
• problem converging molecule in doublet state   garold
• problem converging molecule in doublet state   Ross, Sun
• problem converging molecule in doublet state   garold
• real space grid decomposition   Noam Bernstein
• restart   jadefox337
• restart   jadefox337
• Restart file   LS
• Restart file   Axel
• Restart file   LS
• Restart file   LS
• speeding up QM/MM   Noam Bernstein
• tests/SE/regtest-2/ch2o_pm6.inp: array RECV_META has value 1 which is greater than the upper bound of 0   Thomas Spura

Last message date: Fri Apr 29 21:20:19 UTC 2011
Archived on: Thu Mar 3 11:47:28 UTC 2022

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