August 2009 Archives by thread

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Starting: Mon Aug 3 12:31:34 BST 2009
Ending: Mon Aug 31 23:38:03 BST 2009
Messages: 57

• [molpro-user] MolproView on Mac OSX   Andy May
  • [molpro-user] MolproView on Mac OSX   jacek klos
    • [molpro-user] MolproView on Mac OSX   Andy May
• [molpro-user] DFT-SAPT shifts   ERSIN YURTSEVER
  • [molpro-user] DFT-SAPT shifts   Andreas Hesselmann
• [molpro-user] Population Analysis of highly correlated wavefunctions   andreas.b.fuchs at basf.com
• [molpro-user] version 2009.1   Andy May
• [molpro-user] strange error   Andy May
• [molpro-user] Reg: Print Dipolemoment   Ganga Periyasamy
  • [molpro-user] Reg: Print Dipolemoment   Terry Frankcombe
• [molpro-user] too many domains for CCSD   ERSIN YURTSEVER
  • [molpro-user] too many domains for CCSD   Ricardo Mata
• [molpro-user] Redundant coordinates   Jayashree
• [molpro-user] nuclear energy molpro 2008   Jiří Hostaš
  • [molpro-user] nuclear energy molpro 2008   jacek klos
    • [molpro-user] nuclear energy molpro 2008   Peter Reinhardt
      • [molpro-user] nuclear energy molpro 2008   Andy May
• [molpro-user] MolPro Crashes in CCSD(t) routine   Neeraj Rai
  • [molpro-user] MolPro Crashes in CCSD(t) routine   Andy May
• [molpro-user] Unable to finish building molpro 2009.1   Shenggang Li
  • [molpro-user] Unable to finish building molpro 2009.1   Andy May
• [molpro-user] matrix elements   muskatel at fh.huji.ac.il
• [molpro-user] problems when compiling parallel 2009.1 version   Jacky LIEVIN
  • [molpro-user] problems when compiling parallel 2009.1 version   Andy May
  • [molpro-user] problems when compiling parallel 2009.1 version   jacek klos
• [molpro-user] How to specify,specific reference in MRCI   Pradeep Kumar
  • [molpro-user] How to specify,specific reference in MRCI   Andy May
• [molpro-user] Increase the limit of one calculation   Hongli Tao
• [molpro-user] memory/disc space requirement for L-CCSD(T)   Jörg Saßmannshausen
  • [molpro-user] memory/disc space requirement for L-CCSD(T)   Jörg Saßmannshausen
• [molpro-user] unrestricted local ccsd(t) ?   Fedor Goumans
• [molpro-user] "WARNING:armci_set_mem_offset" what does it mean?   cong.wang
• [molpro-user] The save location of molecular orbitals   Stephen Harrison
  • [molpro-user] The save location of molecular orbitals   Ricardo Mata
  • [molpro-user] The save location of molecular orbitals   Kirk Peterson
• [molpro-user] How to get the cube file   Hui Li
• [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   jacek klos
  • [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   Andy May
  • [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   Terry Frankcombe
    • [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   Andy May
      • [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   Terry Frankcombe
      • [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   Andy May
      • [molpro-user] Syntax of symmetry command in MOLPRO 2009.1   Peter Knowles
• [molpro-user] mppx and ifort   Benj FitzPatrick
• [molpro-user] {SPAM}? Writew error   Shenggang Li
  • [molpro-user] {SPAM}? Writew error   Jörg Saßmannshausen
    • [molpro-user] {SPAM}? Writew error   Shenggang Li
• [molpro-user] Reg: Error Insufficient overlap   Ganga Periyasamy
• [molpro-user] compiling 2009.1 fails at lapack4   Benj FitzPatrick
• [molpro-user] [SOLVED] Re: compiling 2009.1 fails at lapack4   Benj FitzPatrick
• [molpro-user] Question on F12 calculation for He atom   Yoshihiro Sumiyoshi
  • [molpro-user] Question on F12 calculation for He atom   Andy May
  • [molpro-user] Question on F12 calculation for He atom   Gerald Knizia
• [molpro-user] NBO analysis failure   Ulises Miranda
  • [molpro-user] NBO analysis failure   Andy May
• [molpro-user] Constrained optimization in molpro 2006   cong.wang
• [molpro-user] problem in installing   Pradeep Kumar

Last message date: Mon Aug 31 23:38:03 BST 2009
Archived on: Fri Apr 4 12:08:41 BST 2014

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