February 2011 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]

Starting: Fri Feb 4 19:45:48 GMT 2011
Ending: Mon Feb 28 00:13:25 GMT 2011
Messages: 45

• [molpro-user] Molpro execution problem in Ubuntu 10.04   Sidney Santana
  • [molpro-user] Molpro execution problem in Ubuntu 10.04   Andy May
    • [molpro-user] Molpro execution problem in Ubuntu 10.04   Thomas Ritschel
      • [molpro-user] Molpro execution problem in Ubuntu 10.04   Konstantin Tokarev
• [molpro-user] Problem with SELECT after state-average CAS   andrzeja at chemia.uj.edu.pl
  • [molpro-user] Problem with SELECT after state-average CAS   Andy May
• [molpro-user] too large molecule?   Jeong Sik Lim
  • [molpro-user] too large molecule?   Andy May
• [molpro-user] ERROR on big_normal_ccsd benchmark   Vitaliy V. Koval
• [molpro-user] molpro2010.1 compilation   Radoslaw Stachowski
• [molpro-user] transition dipole moment calculations   Jayashree
  • [molpro-user] transition dipole moment calculations   Peter Knowles
    • [molpro-user] transition dipole moment calculations   Jayashree
• [molpro-user] ERROR on big_normal_ccsd benchmark - trouble in the latest patches   Vitaliy V. Koval
  • [molpro-user] ERROR on big_normal_ccsd benchmark - trouble in the latest patches   Andy May
• [molpro-user] Molpro 2010.1 mppx   Joseph Lane
  • [molpro-user] Molpro 2010.1 mppx   Manhui Wang
• [molpro-user] A question about 'SMILES' module in molpro   Cong Wang
  • [molpro-user] A question about 'SMILES' module in molpro   Andy May
• [molpro-user] no convergence in CI due to involvement of higher roots   Saheer VC
• [molpro-user] CI convergence problem :due to involvement of higher roots   Saheer VC
• [molpro-user] [SOLVED] Molpro execution problem in Ubuntu 10.04   Sidney Santana
• [molpro-user] SMILES   Tsuneo Hirano
  • [molpro-user] SMILES   Peter Reinhardt
  • [molpro-user] SMILES   Tsuneo Hirano
• [molpro-user] {SPAM}? how to get correct symmetry   Yulia Kalugina
  • [molpro-user] {SPAM}? how to get correct symmetry   Gerald Knizia
• [molpro-user] Confusion about DIATOMIC procedure   Łukasz Miądowicz
• [molpro-user] UHF convergence failure, 2010.1 version   Neeraj Rai
  • [molpro-user] UHF convergence failure, 2010.1 version   Kirk Peterson
• [molpro-user] Change in Cube File Formatter for Molpro2010?   Seth Olsen
  • [molpro-user] Change in Cube File Formatter for Molpro2010?   Peter Knowles
  • [molpro-user] Change in Cube File Formatter for Molpro2010?   Andy May
• [molpro-user] core-valence correlation   Don Aue
  • [molpro-user] core-valence correlation   Kirk Peterson
• [molpro-user] About spin contamination in open shell RCCSD(T) calculation   Chen Hui
  • [molpro-user] About spin contamination in open shell RCCSD(T) calculation   Gerald Knizia
• [molpro-user] Molpro hangs with RASSCF with large active space   Leon Freitag
• [molpro-user] Too many records   Ozkanlar, Abdullah
  • [molpro-user] Too many records   Kirk Peterson
    • [molpro-user] Too many records   Ozkanlar, Abdullah
    • [molpro-user] Too many records   Kirk Peterson
    • [molpro-user] Too many records   Kirk Peterson
• [molpro-user] casscf   Yurii Vlasov
  • [molpro-user] casscf   Yurii Vlasov

Last message date: Mon Feb 28 00:13:25 GMT 2011
Archived on: Fri Apr 4 12:08:44 BST 2014

• Messages sorted by: [ subject ] [ author ] [ date ]