February 2009 Archives by thread

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Starting: Mon Feb 2 21:46:34 GMT 2009
Ending: Fri Feb 27 20:17:47 GMT 2009
Messages: 28

• [molpro-user] Converge failure in CASPT2   cw zhou
• [molpro-user] {SPAM}? Molpro2008.1 compilation   DOGNON Jean-Pierre
  • [molpro-user] {SPAM}? Molpro2008.1 compilation   Berger Raphael
    • [molpro-user] {SPAM}? Molpro2008.1 compilation   Andy May
• [molpro-user] Sort_to_Box: Nr.gt.nMax error from optg   Jason Byrd
• [molpro-user] Excited state calculation   Jayashree
• [molpro-user] viewing homo orbitals in Molpro   aditya chhikara
  • [molpro-user] viewing homo orbitals in Molpro   Grant Hill
• [molpro-user] CCSD densities   Tim Wright
• [molpro-user] Saving orbitals to file and natural orbitals   Stephen Harrison
  • [molpro-user] Saving orbitals to file and natural orbitals   Gerald Knizia
  • [molpro-user] Saving orbitals to file and natural orbitals   Seth Olsen
• [molpro-user] Skip the transition dipole moment calculation in MS-CI   Kota DAIGOKU
• [molpro-user] Molpro 2006.1 on IBM power6 under AIX5.3   John Travers
  • [molpro-user] Molpro 2006.1 on IBM power6 under AIX5.3   Andy May
• [molpro-user] MATROP loading facility   Stephen Harrison
• [molpro-user] Optimisation of 2 states   Jayashree
• [molpro-user] vertical ionization energies from mrci calculations.   Rajagopala Reddy seelam
• [molpro-user] Selection of virtual orbitals for CASSCF calculations   GOURLAOUEN Christophe
• [molpro-user] mailing list archives   Jayashree
  • [molpro-user] mailing list archives   Andy May
• [molpro-user] spin-orbit coupling of iodine   GHOFFMAN
  • [molpro-user] spin-orbit coupling of iodine   Kirk Peterson
  • [molpro-user] spin-orbit coupling of iodine   Alexander Mitrushchenkov
• [molpro-user] restarting geometry optimization   Jacky LIEVIN
• [molpro-user] Different CASSCF energies for XYZ and Z-matrix inputs   Lorenzo Lodi
• [molpro-user] Reg: Help to print the molecular orbitals   Ganga Periyasamy
• [molpro-user] all 2008.1 builds crash at beginning with a RemoteCreate error   Benj FitzPatrick

Last message date: Fri Feb 27 20:17:47 GMT 2009
Archived on: Fri Apr 4 12:08:39 BST 2014

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