September 2009 Archives by thread

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Starting: Tue Sep 1 11:49:12 BST 2009
Ending: Tue Sep 29 16:11:40 BST 2009
Messages: 55

• [molpro-user] problem in installing   Andy May
• [molpro-user] Constrained optimization in molpro 2006   Andy May
• [molpro-user] {SPAM}? Writew error   Andy May
  • [molpro-user] {SPAM}? Writew error   Shenggang Li
• [molpro-user] "WARNING:armci_set_mem_offset" what does it mean?   Andy May
• [molpro-user] Reg: Error Insufficient overlap   Andy May
• [molpro-user] NMR properties in molpro   jklos at umd.edu
• [molpro-user] mppx and ifort   Andy May
• [molpro-user] open-shell, orbital-invariant mp2   Benj FitzPatrick
  • [molpro-user] open-shell, orbital-invariant mp2   Gerald Knizia
• [molpro-user] SURF: printing mode # during 1D calc   Benj FitzPatrick
• [molpro-user] 1 easy question & 1 complex question regarding Molpro   Stephen Harrison
• [molpro-user] DF-MP2-F12   Andy May
• [molpro-user] Infinity and beyond in CPHF!!!   Carlos Manuel Estévez Valcárcel
  • [molpro-user] Infinity and beyond in CPHF!!!   Andy May
• [molpro-user] How to get the cube file   Andy May
• [molpro-user] Maximum number of state for diabatization   GOURLAOUEN Christophe
• [molpro-user] Problems during the execution of molpro   Dimitri Cavalcanti
  • [molpro-user] Problems during the execution of molpro   Andy May
  • [molpro-user] Problems during the execution of molpro   Andy May
    • [molpro-user] Problems during the execution of molpro   Michael Banck
• [molpro-user] NBO and wf problems   Ulises Miranda
  • [molpro-user] NBO and wf problems   Ricardo Mata
• [molpro-user] Artificial stabilization in MRCI calculation for HBO molecule.   Gang
• [molpro-user] how to make the temporary files written in my home directory   Hui Li
  • [molpro-user] how to make the temporary files written in my home directory   Benj FitzPatrick
  • [molpro-user] how to make the temporary files written in my home directory   Kirk Peterson
• [molpro-user] No symm calculation and State Average Orbitals in Molpro   Ganga Periyasamy
• [molpro-user] amount of scratch needed   Jörg Saßmannshausen
• [molpro-user] enforcing spherical symmetries of atomic states in MRCI   Gershom Martin
  • [molpro-user] enforcing spherical symmetries of atomic states in MRCI   Gershom Martin by way of Jacky LIEVIN (jlievin at ulb.ac.be)
• [molpro-user] {SPAM}? problem running new installation of 2009.1   Peter Ruprecht
• [molpro-user] Non-adiabatic coupling matrix   S4C6Ar Chung
• [molpro-user] MATROP fails to save mrci wavefunctions   Jussi Ahokas
• [molpro-user] Error in atomic_occupation using ECP   Jason Byrd
• [molpro-user] XML output in 2006.2   Christian Evenhuis
• [molpro-user] Double perturbation expansion in SAPT in molpro   cong.wang
  • [molpro-user] Double perturbation expansion in SAPT in molpro   Tatiana Korona
    • [molpro-user] Double perturbation expansion in SAPT in molpro   cong.wang
  • [molpro-user] (TiO)2+   Omololu
    • [molpro-user] (TiO)2+   Gerald Knizia
• [molpro-user] Can I compile molpro2009.1 parallel version without GA?   He Ping
  • [molpro-user] Can I compile molpro2009.1 parallel version without GA?   Manhui Wang
    • [molpro-user] Calculating molecular oxygen excited state   Lorenzo Lodi
      • [molpro-user] Calculating molecular oxygen excited state   Jacky LIEVIN
      • [molpro-user] Calculating molecular oxygen excited state   Lorenzo Lodi
      • [molpro-user] Calculating molecular oxygen excited state   Jacky LIEVIN
• [molpro-user] bohr-angstrom conversion   Stephen Harrison
  • [molpro-user] bohr-angstrom conversion   Grant Hill
  • [molpro-user] bohr-angstrom conversion   Kirk Peterson
• [molpro-user] xyz geometry specification problem   Cristopher Camacho
  • [molpro-user] xyz geometry specification problem   Peter Knowles
• [molpro-user] printing individual S and T pair energies in UCCSD   Gershom (Jan) Martin
• [molpro-user] explicitly corr. methods and core electron correlation?   Berger Raphael
  • [molpro-user] explicitly corr. methods and core electron correlation?   Kirk Peterson

Last message date: Tue Sep 29 16:11:40 BST 2009
Archived on: Fri Apr 4 12:08:41 BST 2014

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