April 2010 Archives by thread

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Starting: Fri Apr 2 19:27:17 BST 2010
Ending: Fri Apr 30 14:08:33 BST 2010
Messages: 44

• [molpro-user] Buffer overflow for long expression   David Woon
  • [molpro-user] Buffer overflow for long expression   jklos at umd.edu
    • [molpro-user] Buffer overflow for long expression   Peter Knowles
• [molpro-user] Optimization with constraint in z-matrix   Sebastian Marquardt
  • [molpro-user] Optimization with constraint in z-matrix   Sebastian Marquardt
• [molpro-user] Question about FCI calculation   Sandipan Banerjee
  • [molpro-user] Question about FCI calculation   Peter Knowles
    • [molpro-user] Question about FCI calculation   Manhui Wang
• [molpro-user] OptG step   Terry Frankcombe
  • [molpro-user] OptG step   Rika Kobayashi
• [molpro-user] Problem with SAPT   Yulia Kalugina
  • [molpro-user] Problem with SAPT   Manhui Wang
• [molpro-user] {Spam?} MRCI davidson correction in version 2006 and 2009   William W. Shum
  • [molpro-user] {Spam?} MRCI davidson correction in version 2006 and 2009   William W. Shum
• [molpro-user] Restrict configuration   Hongli Tao
• [molpro-user] Restoring CI wavefunction after crash   Thierry Leininger
• [molpro-user] HOMO with PBE0   Yurii Vlasov
  • [molpro-user] HOMO with PBE0   Terry Frankcombe
• [molpro-user] RSPT2 for an open-shell degenerate state   Victor G. Solomonik
  • [molpro-user] RSPT2 for an open-shell degenerate state   Victor G. Solomonik
    • [molpro-user] RSPT2 for an open-shell degenerate state   Victor G. Solomonik
• [molpro-user] ACPF and frequencies   Andy May
• [molpro-user] Bug report: optg for UMP2 in Molpro 2009.1 is broken, the same job works in 2006.1   Manhui Wang
• [molpro-user] molpro's job sudden death   psc
  • [molpro-user] molpro's job sudden death   Manhui Wang
    • [molpro-user] molpro's job sudden death   Ronald Kasl
      • [molpro-user] molpro's job sudden death   Manhui Wang
      • [molpro-user] molpro's job sudden death   Manhui Wang
      • [molpro-user] 2009.1 vs 2009.2 / Re: molpro's job sudden death   Manhui Wang
      • [molpro-user] RSPT2 for an open-shell degenerate state   Zork Zou
      • [molpro-user] molpro's job sudden death   Andy May
• [molpro-user] Compiling Molpro in Scientific Linux 5.4   Mark Oakley
  • [molpro-user] Compiling Molpro in Scientific Linux 5.4   Manhui Wang
• [molpro-user] problem running near_df_sapt_acdft.com in parallel   Marta Loureiro
  • [molpro-user] problem running near_df_sapt_acdft.com in parallel   Andreas Hesselmann
• [molpro-user] EOM-CCSD   Lee E.P.F.
  • [molpro-user] EOM-CCSD   Tatiana Korona
• [molpro-user] the error in the do loop   qyf_jh
  • [molpro-user] the error in the do loop   Manhui Wang
• [molpro-user] Molpro-user Digest, Vol 21, Issue 15   Marta Loureiro
• [molpro-user] about the input of basis sets   迷阳
  • [molpro-user] about the input of basis sets   Andy May
• [molpro-user] error occurs when running optg   迷阳
  • [molpro-user] error occurs when running optg   Andy May

Last message date: Fri Apr 30 14:08:33 BST 2010
Archived on: Fri Apr 4 12:08:42 BST 2014

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