August 2006 Archives by thread

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Starting: Wed Aug 2 04:13:54 BST 2006
Ending: Thu Aug 31 23:05:24 BST 2006
Messages: 33

• [molpro-user] how to do reaction path following calculation from non-TS point (fwd)   MHT
• [molpro-user] Re: reaction path following calculation from non-TS point   MHT
• [molpro-user] Compiling molpro Solaris 9   Martin Weise
  • [molpro-user] Compiling molpro Solaris 9   Alexander Mitrushenkov
    • [molpro-user] Compiling molpro Solaris 9   Martin Weise
      • [molpro-user] Compiling molpro Solaris 9   Alexander Mitrushenkov
      • [molpro-user] Compiling molpro Solaris 9   Alexander Mitrushenkov
      • [molpro-user] Compiling molpro Solaris 9   Martin Weise
      • [molpro-user] Compiling molpro Solaris 9   Alexander Mitrushenkov
• [molpro-user] second derivative in mcscf   Oded Godsi
  • [molpro-user] second derivative in mcscf   Peter Knowles
• [molpro-user] Re: [Fwd: Re: �]   Alexander Mitrushenkov
• [molpro-user] Conical Intersections   Doran Bennett
• [molpro-user] problem with parallel version   Guilherme Fernandes de Souza Miguel
• [molpro-user] parallel 2006.1 on Opteron/myrinet cluster   Kirk Peterson
• [molpro-user] Problems with molpro mmp   Guilherme Fernandes de Souza Miguel
• [molpro-user] 2006.2 release notes   Benj FitzPatrick
• [molpro-user] CASSCF and MCSCF in Molpro   Pawel Wielgus
  • [molpro-user] CASSCF and MCSCF in Molpro   Peter Knowles
• [molpro-user] Reference coefficients in the MRCI calculation   Baoshan Wang
• [molpro-user] DF-SCS-LPM2 CP opt   Jiří Černý
• [molpro-user] about parallel execution   Guilherme Fernandes de Souza Miguel
• [molpro-user] MULTI and Gd atom   Pawel Wielgus
• [molpro-user] second derivative in mcscf   Oded Godsi
  • [molpro-user] second derivative in mcscf   H. -J. Werner
• [molpro-user] RESTRICT card   Pawel Wielgus
• [molpro-user] CEPA   Yann Tambouret
• [molpro-user] charge vs nelec with rmp2/rccsd   Timothy J. Giese
  • [molpro-user] charge vs nelec with rmp2/rccsd   H. -J. Werner
• [molpro-user] second derivative in mcscf   Oded Godsi
• [molpro-user] Building custom basis set   William W. Shum
  • [molpro-user] Building custom basis set   Kirk Peterson
• [molpro-user] Density Fitting SAPT   Glen Jenness

Last message date: Thu Aug 31 23:05:24 BST 2006
Archived on: Mon Aug 25 18:42:37 BST 2008

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