November 2011 Archives by thread

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Starting: Tue Nov 1 09:48:04 GMT 2011
Ending: Tue Nov 29 15:06:43 GMT 2011
Messages: 45

• [molpro-user] Cosmo model   Ricardo Mata
• [molpro-user] Solvent model   lilianna bryjko
• [molpro-user] Transition Densities   lilianna bryjko
• [molpro-user] Transition Densities (lilianna bryjko)   Jayashree
• [molpro-user] Origin   lilianna bryjko
• [molpro-user] Angular momentum   lilianna bryjko
• [molpro-user] restart caspt2 geometry optimization   THU TCCL
• [molpro-user] Different ROHF-CCSD energies in gamess and molpro   Luís P. Viegas
• [molpro-user] Localizing orbitals with different occupations?   Seth Olsen
• [molpro-user] RS2 Reference Weights   Ollie Kirkby
• [molpro-user] OPTG with DISSOC primitive   Brent Walker
• [molpro-user] computational scaling of CCSD(T) calculations   Luc Vereecken
• [molpro-user] closed directive ignored in optg   Jacky LIEVIN
• [molpro-user] the Dynamical Weighting   周琳森
• [molpro-user] SAPT calculation error   Artis Heath
  • [molpro-user] SAPT calculation error   Tatiana Korona
    • [molpro-user] SAPT calculation error   Artis Heath
    • [molpro-user] SAPT calculation error   Artis Heath
• [molpro-user] symmetry in UCCSD(T)-F12   Li Jun
  • [molpro-user] symmetry in UCCSD(T)-F12   Kirk Peterson
• [molpro-user] binary installation issue   Piazza, Zachary
  • [molpro-user] binary installation issue   Andy May
• [molpro-user] Typo in molpro startup script   Luc Vereecken
  • [molpro-user] Typo in molpro startup script   Andy May
• [molpro-user] Mass and Charge oriented   lilianna bryjko
• [molpro-user] bugs in the 5d element calculations   Zork Zou
  • [molpro-user] bugs in the 5d element calculations   Kirk Peterson
• [molpro-user] making start command valid in optg   Valérie Vallet
  • [molpro-user] making start command valid in optg   Jacky LIEVIN
  • [molpro-user] making start command valid in optg   Hans-Joachim Werner
    • [molpro-user] making start command valid in optg   Valérie Vallet
      • [molpro-user] making start command valid in optg   Gabriel Freitas
      • [molpro-user] making start command valid in optg   Phillip Peters
• [molpro-user] Convergence of the MCSCF   Rana Zahdeh
  • [molpro-user] Convergence of the MCSCF   Peter Knowles
• [molpro-user] FW: Convergence of the MCSCF   Rana Zahdeh
• [molpro-user] Spin-orbital Coupling Calculation With CASPT2   xgguo
• [molpro-user] A question about analytical gradient for DF-LQCISD   Cong Wang
• [molpro-user] problem with the df-dft-sapt calculation   os
• [molpro-user] Estimation of the DKH-SR correction for cesium atom   flouis
  • [molpro-user] Estimation of the DKH-SR correction for cesium atom   Kirk Peterson
• [molpro-user] compilation of molpro2010: missing ABDATA after linking   Sve N
  • [molpro-user] compilation of molpro2010: missing ABDATA after linking   Manhui Wang
    • [molpro-user] compilation of molpro2010: missing ABDATA after linking   Manhui Wang
• [molpro-user] File numbers?   Pawel Dziekonski

Last message date: Tue Nov 29 15:06:43 GMT 2011
Archived on: Fri Apr 4 12:08:46 BST 2014

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