November 2012 Archives by thread

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Starting: Thu Nov 1 14:41:24 GMT 2012
Ending: Fri Nov 30 22:23:42 GMT 2012
Messages: 39

• [molpro-user] ERROR IN OPTVAR_VALUE: VARIABLE ECBS NOT FOUND   Andy May
• [molpro-user] SO coupling for molecule   Piazza, Zachary
• [molpro-user] Compiling_Molpro_2006_on_Ubuntu_12.04   Thomas Northey
  • [molpro-user] Compiling_Molpro_2006_on_Ubuntu_12.04   Manhui Wang
• [molpro-user] (no subject)   Jana Honová
  • [molpro-user] (no subject)   george
    • [molpro-user] (no subject)   binjiang.nju
• [molpro-user] Excited states with TD-DFT   Jana Honová
  • [molpro-user] Excited states with TD-DFT   Andreas Hesselmann
• [molpro-user] cross-compiling 2012.1 using PGI compiler for Sandy Bridge architecture   Kirk Peterson
  • [molpro-user] cross-compiling 2012.1 using PGI compiler for Sandy Bridge architecture   Kirk Peterson
• [molpro-user] vibrationally averaged rotational constants   hwitek at mail.nctu.edu.tw
• [molpro-user] 2012.1 build with latest ifort   Kirk Peterson
  • [molpro-user] 2012.1 build with latest ifort   Kirk Peterson
    • [molpro-user] 2012.1 build with latest ifort   Kirk Peterson
      • [molpro-user] 2012.1 build with latest ifort   Andy May
      • [molpro-user] 2012.1 build with latest ifort   Kirk Peterson
• [molpro-user] script for C 1Pi_u for H2   이천우
  • [molpro-user] script for C 1Pi_u for H2   Peter Knowles
• [molpro-user] dummy atom-symmetry problem in BSSE   sutay at itu.edu.tr
  • [molpro-user] dummy atom-symmetry problem in BSSE   Tatiana Korona
• [molpro-user] Human-readable wavefunction output?   Thomas Northey
  • [molpro-user] Human-readable wavefunction output?   Tatiana Korona
• [molpro-user] transitions between spin-orbit of different electronic states   Joumana Assaf
• [molpro-user] relaxed Pople cluster corrections   harding
• [molpro-user] How to build parallel Molpro 2012.1.0 with GA-5-1-1   Reuti
  • [molpro-user] How to build parallel Molpro 2012.1.0 with GA-5-1-1   Martin Diefenbach
    • [molpro-user] How to build parallel Molpro 2012.1.0 with GA-5-1-1   Reuti
      • [molpro-user] How to build parallel Molpro 2012.1.0 with GA-5-1-1   Andy May
• [molpro-user] fe basis set   jen schmitt
  • [molpro-user] fe basis set   Grant Hill
• [molpro-user] {SPAM}? f12 optg issue   姜帅
• [molpro-user] A problem about df-lmp2-f12 method   刘议蓉
• [molpro-user] Analytical Hessian for SA-CASSCF   SCAr Chung
• [molpro-user] Orbital Energies   Timothy Wright
• [molpro-user] SCF Convergence Problem within the SURF program   Zygmunt Flisak
• [molpro-user] CASPT2 optimisation of excited states.   Justyna Zurek
• [molpro-user] How to restrict external excitations   Fernando D. Vila
• [molpro-user] Start CASSCF with matrop orbitals from higher symmetry?   Seth Olsen

Last message date: Fri Nov 30 22:23:42 GMT 2012
Archived on: Fri Apr 4 12:08:48 BST 2014

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