January 2011 Archives by thread

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Starting: Sat Jan 1 23:34:33 GMT 2011
Ending: Mon Jan 31 13:22:03 GMT 2011
Messages: 57

• [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)   Teobald Kupka
  • [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)   Kirk Peterson
    • [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)   Toru Shiozaki
  • [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)   Gerald Knizia
• [molpro-user] permanent dipole moment   Łukasz Miądowicz
  • [molpro-user] permanent dipole moment   Kirk Peterson
• [molpro-user] Molpro-user Digest, Vol 30, Issue 1   Teobald Kupka
• [molpro-user] Regarding usage of effective core potentials for fluorine atom   syed aleem
  • [molpro-user] Regarding usage of effective core potentials for fluorine atom   Kirk Peterson
    • [molpro-user] Regarding usage of effective core potentials for fluorine atom   Kirk Peterson
  • [molpro-user] Regarding usage of effective core potentials for fluorine atom   Gerald Knizia
• [molpro-user] infiniband latency   Mintz, Benjamin J.
  • [molpro-user] infiniband latency   Manhui Wang
  • [molpro-user] infiniband latency   Martin Diefenbach
• [molpro-user] dipole-quadrupole molecular polarizability tensors   Elking, Denny (NIH/NIEHS) [G]
  • [molpro-user] dipole-quadrupole molecular polarizability tensors   Tatiana Korona
• [molpro-user] Energy doesn't match wrt to opt and Freq for BH2 radical in SA-CASSCF   t s venkatesan
  • [molpro-user] Energy doesn't match wrt to opt and Freq for BH2 radical in SA-CASSCF   Gerald Knizia
• [molpro-user] CASPT2 error   Alexander Sokolov
  • [molpro-user] CASPT2 error   Kirk Peterson
  • [molpro-user] CASPT2 error   Gerald Knizia
  • [molpro-user] CASPT2 error   Sham
• [molpro-user] Problem reading IPEA option to RS2   Seth Olsen
  • [molpro-user] Problem reading IPEA option to RS2   Rika Kobayashi
  • [molpro-user] Problem reading IPEA option to RS2   Hans-Joachim Werner
• [molpro-user] Optg and Numerical Hessian   Tsuneo Hirano
  • [molpro-user] Optg and Numerical Hessian   Hans-Joachim Werner
    • [molpro-user] Optg and Numerical Hessian   Tsuneo Hirano
• [molpro-user] NO CONVERGENCE OF CP-MCSCF   Shireen Falah
• [molpro-user] orbitals symmetry in molpro output   Shireen Falah
• [molpro-user] too many records error   Kirk Peterson
  • [molpro-user] too many records error   Andy May
• [molpro-user] Overlap integrals   Ulises Miranda
  • [molpro-user] Overlap integrals   Gerald Knizia
• [molpro-user] problem in installing   Rajagopala Reddy seelam
  • [molpro-user] problem in installing   Andy May
  • [molpro-user] Problem in installing   Rajagopala Reddy seelam
    • [molpro-user] Problem in installing   Andy May
  • [molpro-user] problem in installing   Konstantin Tokarev
• [molpro-user] caspt3 excited states   Mintz, Benjamin J.
  • [molpro-user] caspt3 excited states   Toru Shiozaki
    • [molpro-user] caspt3 excited states   Mintz, Benjamin J.
• [molpro-user] caspt3 excited states (lydia)   lydia
• [molpro-user] parallel task control   Mintz, Benjamin J.
  • [molpro-user] parallel task control   Andy May
    • [molpro-user] parallel task control   Mintz, Benjamin J.
• [molpro-user] Help with QSDpath   Robin Shannon
  • [molpro-user] Help with QSDpath   Fedor Goumans
• [molpro-user] problem in running molpro reg   Rajagopala Reddy seelam
• [molpro-user] caspt3 error   Mintz, Benjamin J.
  • [molpro-user] caspt3 error   Mintz, Benjamin J.
    • [molpro-user] caspt3 error   Manhui Wang
      • [molpro-user] caspt3 error   Andy May
• [molpro-user] What's wrong with my input?   GHOFFMAN
  • [molpro-user] What's wrong with my input?   Hill, John Grant
  • [molpro-user] What's wrong with my input?   Andy May
    • [molpro-user] What's wrong with my input?   Sham

Last message date: Mon Jan 31 13:22:03 GMT 2011
Archived on: Fri Apr 4 12:08:44 BST 2014

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