September 2008 Archives by thread

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Starting: Wed Sep 3 17:44:06 BST 2008
Ending: Tue Sep 30 23:04:40 BST 2008
Messages: 42

• [Molpro-user] Calculation of Potential   Benjamin Bulheller
  • [Molpro-user] Calculation of Potential II   Benjamin Bulheller
    • [Molpro-user] Calculation of Potential III - SOLVED   Benjamin Bulheller
• [Molpro-user] Error installing molpro-2008.1   Andy May
• [Molpro-user] running molpro with additional mpirun options   John Travers
  • [Molpro-user] running molpro with additional mpirun options   Kirk Peterson
  • [Molpro-user] running molpro with additional mpirun options   Andy May
  • [Molpro-user] running molpro with additional mpirun options   John Travers
    • [Molpro-user] running molpro with additional mpirun options   Andy May
      • [Molpro-user] running molpro with additional mpirun options   Mikael Johansson
• [Molpro-user] restart?   Berger Raphael
  • [Molpro-user] restart?   Berger Raphael
  • [Molpro-user] restart?   Kirk Peterson
• [Molpro-user] how to avoid SCF restart in a CCSD(T) scan and why does the SCF converge to a wrong state?   Fedor Goumans
  • [Molpro-user] how to avoid SCF restart in a CCSD(T) scan and why does the SCF converge to a wrong state?   Kirk Peterson
    • [Molpro-user] how to avoid SCF restart in a CCSD(T) scan and why does the SCF converge to a wrong state?   Kirk Peterson
  • [Molpro-user] how to avoid SCF restart in a CCSD(T) scan and why does the SCF converge to a wrong state?   Gerald Knizia
• [Molpro-user] how to avoid SCF restart in a CCSD(T) scan and why does the ROHF SCF seem to converge to a wrong state?   Fedor Goumans
  • [Molpro-user] how to avoid SCF restart in a CCSD(T) scan and why does the ROHF SCF seem to converge to a wrong state?   Fedor Goumans
• [Molpro-user] CCSD(T) for radicals and calculation of bond energies   Hans-Joachim Werner
• [Molpro-user] Molpro executable hang on single node multi-proc run   Jason Byrd
  • [Molpro-user] Molpro executable hang on single node multi-proc run   Peter Knowles
• [Molpro-user] Inconsistent memory 2006.1   dedey at alumni.bilkent.edu.tr
  • [Molpro-user] Inconsistent memory 2006.1   Andy May
• [Molpro-user] 64.f?   Glen Jenness
  • [Molpro-user] 64.f?   Andy May
• [Molpro-user] [Re: Inconsistent memory 2006.1]   dedey at alumni.bilkent.edu.tr
• [Molpro-user] Memory usage in Molpro   Attila Bende
• [Molpro-user] [molpro-user] How to alter the active space   Nevin Oksuz
  • [Molpro-user] [molpro-user] How to alter the active space   Tom Keal
• [Molpro-user] {SPAM}? ? The problem occurs in process_options_array   Richard Christie
  • [Molpro-user] {SPAM}? {SPAM}? ? The problem occurs in process_options_array   Andy May
    • [Molpro-user] {SPAM}? {SPAM}? ? The problem occurs in process_options_array   Richard Christie
      • [Molpro-user] {SPAM}? {SPAM}? ? The problem occurs in process_options_array   Andy May
• [Molpro-user] availability of integral direct open-shell MP2   Ben Shepler
  • [Molpro-user] availability of integral direct open-shell MP2   Gerald Knizia
• [Molpro-user] Molpro2008.1   Jyh-Shyong
  • [Molpro-user] Molpro2008.1   rossi at york.cuny.edu
• [Molpro-user] Displaying output files with Molden - Molpro 2008.1   Jayashree
  • [Molpro-user] Displaying output files with Molden - Molpro 2008.1   Kirk Peterson
• [Molpro-user] DFT oddity   Kirk Peterson
• [Molpro-user] CPMCSCF input   Jayashree

Last message date: Tue Sep 30 23:04:40 BST 2008
Archived on: Fri Apr 4 12:08:38 BST 2014

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