November 2010 Archives by thread

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Starting: Wed Nov 3 13:19:00 GMT 2010
Ending: Mon Nov 29 19:04:41 GMT 2010
Messages: 71

• [molpro-user] DFT calculations produced different energy with a different guesses   David Danovich
  • [molpro-user] DFT calculations produced different energy with a different guesses   Kirk Peterson
    • [molpro-user] DFT calculations produced different energy with a different guesses   David Danovich
      • [molpro-user] DFT calculations produced different energy with a different guesses   Kirk Peterson
      • [molpro-user] DFT calculations produced different energy with a different guesses   David Danovich
      • [molpro-user] DFT calculations produced different energy with a different guesses   Kirk Peterson
• [molpro-user] Instability with SMP threading (openmp)   Martin Diefenbach
• [molpro-user] DFT calculations produced different energy with a different guesses   Kirk Peterson
• [molpro-user] CASSCF saving multiple states   Nathan Wells
  • [molpro-user] CASSCF saving multiple states   Peter Knowles
• [molpro-user] SAPT performance   Berger Raphael
  • [molpro-user] SAPT performance   Tatiana Korona
  • [molpro-user] SAPT performance   Andreas Hesselmann
• [molpro-user] molpro2010.1 installation in openSUSE 10.3   Patricia RP Barreto
  • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Konstantin Tokarev
    • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Patricia Barreto
      • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Grant Hill
      • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Andy May
      • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Patricia Barreto
      • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Andy May
  • [molpro-user] molpro2010.1 installation in openSUSE 10.3   Andy May
• [molpro-user] expectation values using Finite-Field method   Yurii Vlasov
• [molpro-user] CUDA   Nathan Wells
  • [molpro-user] CUDA   Andy May
• [molpro-user] Installing molpro 2010   Nathan Wells
  • [molpro-user] Installing molpro 2010   Andy May
• [molpro-user] CASPT2 problem   Attila Bende
  • [molpro-user] CASPT2 problem   Andy May
  • [molpro-user] CASPT2 problem   Konstantin Tokarev
• [molpro-user] Molpro 2010.1 with CUDA on Macbook Pro NVIDIA card   Jacek Antoni Klos
  • [molpro-user] Molpro 2010.1 with CUDA on Macbook Pro NVIDIA card   Andy May
• [molpro-user] MP2-F12   Glen Jenness
  • [molpro-user] MP2-F12   Hans-Joachim Werner
    • [molpro-user] MP2-F12   Glen Jenness
• [molpro-user] Printing transition density matrices   Francoise Remacle
  • [molpro-user] Printing transition density matrices   Peter Knowles
• [molpro-user] illegal operator dm?   Glen Jenness
  • [molpro-user] illegal operator dm?   Andy May
    • [molpro-user] illegal operator dm?   Andy May
• [molpro-user] MP2 CALCULATION   Pradeep Kumar
  • [molpro-user] MP2 CALCULATION   Kirk Peterson
  • [molpro-user] MP2 CALCULATION   Gerald Knizia
• [molpro-user] Compilation of molpro with cuda support fails   Hugo Martiniano
  • [molpro-user] Compilation of molpro with cuda support fails   Andy May
• [molpro-user] threshhold for MULTI   lydia
  • [molpro-user] threshhold for MULTI   Andy May
• [molpro-user] Jensen basis set   RS
  • [molpro-user] Jensen basis set   Konstantin Tokarev
  • [molpro-user] Jensen basis set   Gerald Knizia
• [molpro-user] IRC restart   Gabriel Freitas
• [molpro-user] Bug in the CUBE program   Andy May
• [molpro-user] MS-CASPT2 geometry optimizations   harding
  • [molpro-user] MS-CASPT2 geometry optimizations   Hans-Joachim Werner
• [molpro-user] Spectroscopic parameters and plotting ???   Łukasz Miądowicz
  • [molpro-user] Spectroscopic parameters and plotting ???   Gerald Knizia
    • [molpro-user] LQCISD geometry optimisation   Matt Addicoat
      • [molpro-user] LQCISD geometry optimisation   Gerald Knizia
      • [molpro-user] LQCISD geometry optimisation   Hans-Joachim Werner
• [molpro-user] Benchmark timing on linux raid   Jacek Klos
  • [molpro-user] Benchmark timing on linux raid   Gerald Knizia
    • [molpro-user] Benchmark timing on linux raid   Jacek Klos
• [molpro-user] normal mode coordinates   Eryin Feng
  • [molpro-user] normal mode coordinates   Kirk Peterson
    • [molpro-user] normal mode coordinates   Terry Frankcombe
  • [molpro-user] normal mode coordinates   Jacky LIEVIN
• [molpro-user] threshhold for MULTI   Andy May
• [molpro-user] Two runs, same HF energy, different correlation E   Mikael Johansson
• [molpro-user] calculating the energy of a degenerate state using mrci reg   Rajagopala Reddy seelam
  • [molpro-user] calculating the energy of a degenerate state using mrci reg   Zork Zou
    • [molpro-user] calculating the energy of a degenerate state using mrci reg   Kirk Peterson
• [molpro-user] normal mode coordinates (jacky)   lydia

Last message date: Mon Nov 29 19:04:41 GMT 2010
Archived on: Mon Nov 29 21:58:06 GMT 2010

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