June 2009 Archives by thread

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Starting: Mon Jun 1 04:41:31 BST 2009
Ending: Tue Jun 30 22:46:29 BST 2009
Messages: 48

• [molpro-user] How to define and use df_basis and ri_basis   Huang, Wei
  • [molpro-user] How to define and use df_basis and ri_basis   Kirk Peterson
    • [molpro-user] How to define and use df_basis and ri_basis   Huang, Wei
• [molpro-user] insufficient memory available   Huang, Wei
• [molpro-user] Reg: Molpro Users   Grant Hill
• [molpro-user] caspt2   Perry, Jamin W. (MU-Student)
  • [molpro-user] caspt2   Ricardo Mata
• [molpro-user] State averaging   Stephen Harrison
• [molpro-user] iso.gt.maxbas   Ghosh, Soumya
• [molpro-user] problem with popt option   rsb20 at uakron.edu
  • [molpro-user] problem with popt option   Ricardo Mata
• [molpro-user] Values of SO transition matrix elements in 2008.1 Molpro   Alexander Mitrushchenkov
• [molpro-user] D_inf_h Vs. D2h   muskatel at fh.huji.ac.il
  • [molpro-user] D_inf_h Vs. D2h   Terry Frankcombe
• [molpro-user] Help: error at NOCHECK OPTION   Ba Tai Truong
• [molpro-user] A queation of the frequencies for excited state   yang liu
• [molpro-user] Single point calculations   Wafaa Fawzy
• [molpro-user] excited states   oliver.potzel at uni-ulm.de
• [molpro-user] How to read optimized variable that is not defined in z-marix?   rsb20 at uakron.edu
• [molpro-user] Make and symlinks / hardlinks   Łukasz Rajchel
• [molpro-user] parallel version execution question   Dr. Anatoliy Volkov
• [molpro-user] location of scratch files in parallel runs   Dr. Anatoliy Volkov
  • [molpro-user] location of scratch files in parallel runs   Mikael Johansson
• [molpro-user] Table of output data incomplete   Sunil
• [molpro-user] Questions on the molpro FCI capabilities   Evgeniy Gromov
  • [molpro-user] Questions on the molpro FCI capabilities   Peter Knowles
• [molpro-user] Is GPU based number crunchers better for MOLPRO?   S. V. K. Kumar
  • [molpro-user] Is GPU based number crunchers better for MOLPRO?   Peter Knowles
• [molpro-user] saving and loading orbitals   Stephen Harrison
  • [molpro-user] saving and loading orbitals   Ricardo Mata
• [molpro-user] EOM-CCSD capabilities   Van Dam, HJJ (Huub)
  • [molpro-user] EOM-CCSD capabilities   Ricardo Mata
• [molpro-user] Coupled Cluster diagnostics   Luis Pedro Viegas
• [molpro-user] Molpro.2008.1 error on AIX   Szki TSU
• [molpro-user] Local CC2   Attila Bende
• [molpro-user] domains in local calculations   Ben Shepler
  • [molpro-user] domains in local calculations   Ricardo Mata
• [molpro-user] Newbie question about MCSCF calculation   zhendong zhao
• [molpro-user] Basis library exhausted problem   Gang
  • [molpro-user] Basis library exhausted problem   Grant Hill
  • [molpro-user] Basis library exhausted problem   Kirk Peterson
• [molpro-user] Orbital directive   Cristina Sanz Sanz
• [molpro-user] GPGPU calculation for Molpro?   Gang
  • [molpro-user] GPGPU calculation for Molpro?   Gerald Knizia
• [molpro-user] Inconsistent memory?   zhendong zhao
  • [molpro-user] Inconsistent memory?   Peter Knowles
    • [molpro-user] Inconsistent memory?   zhendong zhao
• [molpro-user] VCI error   Essam Hammam El-Behaedi

Last message date: Tue Jun 30 22:46:29 BST 2009
Archived on: Wed Jul 1 06:21:17 BST 2009

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