July 2014 Archives by thread

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Starting: Tue Jul 1 20:48:55 BST 2014
Ending: Thu Jul 31 21:59:39 BST 2014
Messages: 42

• [molpro-user] Extended Multi-State CASPT2   Alan Chien
  • [molpro-user] Extended Multi-State CASPT2   Alan Chien
    • [molpro-user] Extended Multi-State CASPT2   Werner Győrffy
      • [molpro-user] Extended Multi-State CASPT2   Alan Chien
      • [molpro-user] Extended Multi-State CASPT2   Alan Chien
      • [molpro-user] Extended Multi-State CASPT2   Werner Győrffy
• [molpro-user] constraint cartesian coordinates during geometry optimization   Joonghan Kim
• [molpro-user] Printed orbitals accuracy   Kaveh Haghighi Mood
• [molpro-user] Spin-Orbit Calculation   Samir Tohme
  • [molpro-user] Spin-Orbit Calculation   Peterson, Kirk
  • [molpro-user] Spin-Orbit Calculation   Peter Knowles
• [molpro-user] No convergence in CP-MCSCF   Rameswar Bhattacharjee
• [molpro-user] Unit of Derivative coupling   Rameswar Bhattacharjee
• [molpro-user] Segmentation fault when computing MRCI transition dipoles   Lorenzo Lodi
  • [molpro-user] Segmentation fault when computing MRCI transition dipoles   Alexander MITRUSHCHENKOV
    • [molpro-user] Segmentation fault when computing MRCI transition dipoles   Lorenzo Lodi
      • [molpro-user] Segmentation fault when computing MRCI transition dipoles   Alexander Mitrushchenkov
    • [molpro-user] Segmentation fault when computing MRCI transition dipoles   Alexander Mitrushchenkov
  • [molpro-user] Segmentation fault when computing MRCI transition dipoles   Alexander Mitrushchenkov
• [molpro-user] counterpoise corrections   Shepard, Christopher
  • [molpro-user] counterpoise corrections   Peterson, Kirk
• [molpro-user] cc-pCVTZ basis set for Na different   Lorenzo Lodi
• [molpro-user] Memory   Rameswar Bhattacharjee
  • [molpro-user] Memory   Peterson, Kirk
• [molpro-user] imaginary frequencies   Shepard, Christopher
• [molpro-user] dynamic memory allocation   Kanters, Rene
• [molpro-user] Energy in MRCI-F12 calculation   Somnath BHOWMICK
  • [molpro-user] Energy in MRCI-F12 calculation   Peterson, Kirk
    • [molpro-user] Energy in MRCI-F12 calculation   Somnath BHOWMICK
      • [molpro-user] Energy in MRCI-F12 calculation   Lee E.P.F.
    • [molpro-user] Energy in MRCI-F12 calculation   Peterson, Kirk
      • [molpro-user] Energy in MRCI-F12 calculation   Somnath BHOWMICK
  • [molpro-user] Energy in MRCI-F12 calculation   Peterson, Kirk
• [molpro-user] Error in the CI Calculation   Samir Tohme
• [molpro-user] components of pi   Assaf Joumana
  • [molpro-user] components of pi   ZOUWL
• [molpro-user] Not accurate with MRCI   samala nagaprasad reddy
  • [molpro-user] Not accurate with MRCI   Peterson, Kirk
• [molpro-user] CCSD errors for singlet state with unpaired electrons   Hoffman, Gerald
  • [molpro-user] CCSD errors for singlet state with unpaired electrons   Peterson, Kirk
• [molpro-user] Transition Moments in CASPT2   Alan Chien
  • [molpro-user] Transition Moments in CASPT2   Alan Chien

Last message date: Thu Jul 31 21:59:39 BST 2014
Archived on: Fri Aug 1 07:45:45 BST 2014

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