November 2008 Archives by thread

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Starting: Mon Nov 3 06:33:26 GMT 2008
Ending: Thu Nov 27 19:11:36 GMT 2008
Messages: 51

• [molpro-user] saving FCI vectors   Peter Knowles
• [molpro-user] : i need help : save matrix   Hanen-externe AMOR
  • [molpro-user] : i need help : save matrix   Ricardo Mata
• [molpro-user] memory error in a do loop variable scan   Jason Byrd
• [molpro-user] [Molpro-user] Problems running patcher on 2006.1 version   Andy May
• [molpro-user] DKH in molpro   John Travers
  • [molpro-user] DKH in molpro   Kirk Peterson
• [molpro-user] Molpro 2008.1 and mvapich   Jyh-Shyong
• [molpro-user] optg and symmetry   lillestolen
  • [molpro-user] optg and symmetry   Sears, John S
• [molpro-user] DMA in Molpro2008   Glen Jenness
• [molpro-user] I need the help in UCCSD(T) converge failure.   cw zhou
• [molpro-user] AVQZ basis for Na?   Cristopher Camacho
  • [molpro-user] AVQZ basis for Na?   Kirk Peterson
  • [molpro-user] AVQZ basis for Na?   Grant Hill
  • [molpro-user] AVQZ basis for Na?   Gerald Knizia
  • [molpro-user] AVQZ basis for Na?   Benj FitzPatrick
• [molpro-user] gmainv (again)   Pedro Jorge Caridade
  • [molpro-user] gmainv (again)   Manhui Wang
• [molpro-user] I need the help   Hanen-externe AMOR
• [molpro-user] Why SCF results do not give the lowest energy?   cjrosa at ualg.pt
  • [molpro-user] Why SCF results do not give the lowest energy?   Ricardo Mata
  • [molpro-user] Why SCF results do not give the lowest energy?   Ricardo Mata
• [molpro-user] STACK TRACE: SEWARD   Glen Jenness
• [molpro-user] strange behavior using PROC in OPTG   Benj FitzPatrick
• [molpro-user] strange behavior using PROC in OPTG (the rest of the input file)   Benj FitzPatrick
• [molpro-user] Core/valence energy in RS3   Terry Frankcombe
• [molpro-user] XYZ input   Jayashree
  • [molpro-user] XYZ input   Grant Hill
    • [molpro-user] XYZ input   Jayashree
      • [molpro-user] XYZ input   Jayashree
• [molpro-user] problem with optg crashing in 2008.1 with pathf90   Benj FitzPatrick
• [molpro-user] Does NACME include "MO term" contribution?   You Lue
• [molpro-user] State Averaged CASSCF calculations   Tom Oliver
  • [molpro-user] State Averaged CASSCF calculations   Benj FitzPatrick
    • [molpro-user] State Averaged CASSCF calculations   Tom Oliver
  • [molpro-user] State Averaged CASSCF calculations   Kirk Peterson
    • [molpro-user] State Averaged CASSCF calculations   Tom Oliver
• [molpro-user] unable to find Global Arrays   SLIM H.A.
  • [molpro-user] unable to find Global Arrays   Andy May
  • [molpro-user] Too many records   Jeremy Merritt
• [molpro-user] densities not identical   Glen Jenness
  • [molpro-user] densities not identical   Andreas Hesselmann
    • [molpro-user] densities not identical   Glen Jenness
• [molpro-user] weird optg error   Jason Byrd
  • [molpro-user] weird optg error   Ricardo Mata
• [molpro-user] Active space orbitals   Jayashree
  • [molpro-user] Active space orbitals   Kirk Peterson
• [molpro-user] Total energy unreasonable   Vincent Liégeois
  • [molpro-user] Total energy unreasonable   Peter Knowles
  • [molpro-user] Total energy unreasonable   Gerald Knizia

Last message date: Thu Nov 27 19:11:36 GMT 2008
Archived on: Fri Apr 4 12:08:39 BST 2014

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