February 2008 Archives by thread

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Starting: Fri Feb 1 07:07:23 GMT 2008
Ending: Fri Feb 29 04:59:40 GMT 2008
Messages: 33

• [molpro-user] Compilation in IBM AIX5.3   Andy May
  • [molpro-user] Compilation in IBM AIX5.3   rossi at york.cuny.edu
• [molpro-user] Number of Active Orbitals   Andy May
  • [molpro-user] Number of Active Orbitals   Shenggang Li
• [molpro-user] Help with SLAPAF Program   Alexander Mitrushchenkov
• [molpro-user] some help   Pedro Jorge Caridade
• [molpro-user] Thermochemistry after freq calculation   Julia Rakow
  • [molpro-user] Thermochemistry after freq calculation   Hans-Joachim Werner
• [molpro-user] Variables for L operator   jacek klos
• [molpro-user] closew   Hongli Tao
• [molpro-user] Possible bug in the DKH module in molpro 2006.1   Peter Knowles
• [molpro-user] record not found?   Glen Jenness
• [molpro-user] installation problem   Peter Ruprecht
• [molpro-user] The strange total energy of B atom   Ching-Liang Huang
  • [molpro-user] The strange total energy of B atom   Peter Knowles
• [molpro-user] {SPAM}?   David Glowacki
• [molpro-user] RS2 optg bug in Cs symmetry   David Glowacki
• [molpro-user] patchlevel 168: RS2 Cs symm optg bug?   David Glowacki
• [molpro-user] Molpro and GAMESS Results Differ: CASSCF(10,10) Calculation   rossi at york.cuny.edu
  • [molpro-user] Molpro and GAMESS Results Differ: CASSCF(10,10) Calculation   Kirk Peterson
  • [molpro-user] Molpro and GAMESS Results Differ: CASSCF(10,10) Calculation   Peter Knowles
• [molpro-user] Error in opening file ABDATA   Brian Prascher
• [molpro-user] FCI problem   Constantine Koukounas
  • [molpro-user] FCI problem   Peter Knowles
• [molpro-user] Restarting molpro CCSD(T) calculation   Min Seung Kyu
  • [molpro-user] Restarting molpro CCSD(T) calculation   Mikael Johansson
  • [molpro-user] Restarting molpro CCSD(T) calculation   rossi at york.cuny.edu
• [molpro-user] MPPX version for SGI Altix   Sarah Wilsey
• [molpro-user] gmainv1 failure   csong
  • [molpro-user] gmainv1 failure   Andy May
• [molpro-user] gmainv1 failure   csong
• [molpro-user] Difference between CLOSED and CORE orbitals is MRCI   Lorenzo Lodi
  • [molpro-user] Difference between CLOSED and CORE orbitals is MRCI   Kirk Peterson

Last message date: Fri Feb 29 04:59:40 GMT 2008
Archived on: Mon Aug 25 18:42:38 BST 2008

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