October 2006 Archives by thread

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Starting: Mon Oct 2 02:23:16 BST 2006
Ending: Tue Oct 31 07:37:27 GMT 2006
Messages: 23

• [molpro-user] changing localization defaults for local orbital dump in multi   Seth Olsen
• [molpro-user] about parallel execution   Guilherme Fernandes de Souza Miguel
• [molpro-user] UMP2 documentation   Kelly Higgins
• [molpro-user] NACME   William Chua
• [molpro-user] Geometry specification   Lorenzo Lodi
  • [molpro-user] Geometry specification   Tatiana Korona
• [molpro-user] questions about POP calculations.   Wang Mingwei
  • [molpro-user] questions about POP calculations.   H. -J. Werner
• [molpro-user] Saving and re-using CI vectors   Ioannis Kerkines
  • [molpro-user] Saving and re-using CI vectors   H. -J. Werner
• [molpro-user] Is there advantage to using RS2 gradient program for SA-MCSCF gradients?   Dr. Seth Olsen
  • [molpro-user] Is there advantage to using RS2 gradient program for SA-MCSCF gradients?   H. -J. Werner
• [molpro-user] problem with runnig MRCI   Stanislav Záliš
  • [molpro-user] problem with runnig MRCI   Peter Knowles
    • [molpro-user] problem with runnig MRCI   Stanislav Záliš
• [molpro-user] Clash between multiple instances of Molpro on one node   Bastiaan J. Braams
• [molpro-user] Molpro on NEC SX-8   Reuti
• [molpro-user] singlet-triplet excitation energy in diradicals   Hans Jakob Woerner
• [molpro-user] input file : singlet-triplet excitation energy in diradicals   Hans Jakob Woerner
• [molpro-user] Re: Clash between multiple instances of Molpro on one node   Bastiaan J. Braams
  • [molpro-user] Re: Clash between multiple instances of Molpro on one node   H. -J. Werner
• [molpro-user] basis sets not in the molpro library   Oleg Polyanski
  • [molpro-user] basis sets not in the molpro library   Kirk Peterson

Last message date: Tue Oct 31 07:37:27 GMT 2006
Archived on: Mon Aug 25 18:42:37 BST 2008

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