June 2010 Archives by thread

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Starting: Tue Jun 1 06:34:28 BST 2010
Ending: Tue Jun 29 20:10:32 BST 2010
Messages: 38

• [molpro-user] on the nature of abinitio data   Rajagopala Reddy seelam
• [molpro-user] Molpro compilation failure   Andy May
• [molpro-user] how to print mcscf molecular orbitals   Elizete Ventura do Monte
• [molpro-user] Adding extra atomic sites to Dma   chermak at lct.jussieu.fr
• [molpro-user] how to print mcscf molecular orbitals, part2   Elizete Ventura do Monte
• [molpro-user] Energy of DFT calculation in MOLPRO   Yang, Shengfu F. (Dr.)
  • [molpro-user] Energy of DFT calculation in MOLPRO   Andy May
• [molpro-user] MRCI output - double excitation information   Jayashree
• [molpro-user] hexadecapole moment of CH4 using finite-field   Yurii Vlasov
  • [molpro-user] hexadecapole moment of CH4 using finite-field   Omololu
• [molpro-user] guess_orbital question   millard alexander
  • [molpro-user] guess_orbital question   Andy May
    • [molpro-user] guess_orbital question   millard alexander
      • [molpro-user] {SPAM}? Re: guess_orbital question   Andy May
    • [molpro-user] guess_orbital question   millard alexander
• [molpro-user] hexadecapole moment   Yurii Vlasov
• [molpro-user] direct-MC-SCF is filling harddisk   andreas.b.fuchs at basf.com
  • [molpro-user] direct-MC-SCF is filling harddisk   Reuti
    • [molpro-user] direct-MC-SCF is filling harddisk   andreas.b.fuchs at basf.com
      • [molpro-user] direct-MC-SCF is filling harddisk   Gerald Knizia
• [molpro-user] An unsuccessful Molpro termination without an error message   Ol Ga
  • [molpro-user] An unsuccessful Molpro termination without an error message   Manhui Wang
• [molpro-user] A question about Molpro calculation results   吴艳波
• [molpro-user] routine printing CI vectors   GOURLAOUEN Christophe
• [molpro-user] freqdft in version 2009   Yurii Vlasov
  • [molpro-user] freqdft in version 2009   Konstantin Tokarev
• [molpro-user] RS2C : numerical hessian evaluation   Ol Ga
• [molpro-user] uneven occupations and oscillator strenghts with eom-ccsd reg   Rajagopala Reddy seelam
  • [molpro-user] uneven occupations and oscillator strenghts with eom-ccsd reg   Tatiana Korona
  • [molpro-user] uneven occupations and oscillator strenghts with eom-ccsd reg   Tatiana Korona
• [molpro-user] Spherical multiple moments   George Economides
• [molpro-user] df-hf optimization fails   Attila Bende
  • [molpro-user] df-hf optimization fails   Manhui Wang
• [molpro-user] Untransformed CI vector from Multi with dont, orbital   Will Glover
  • [molpro-user] Untransformed CI vector from Multi with dont, orbital   Peter Knowles
    • [molpro-user] Untransformed CI vector from Multi with dont, orbital   Will Glover
• [molpro-user] how to obtain lzlz in cas and mrci calculations   Hartree
• [molpro-user] Internal and explicit initial guessing   Taube, Andrew

Last message date: Tue Jun 29 20:10:32 BST 2010
Archived on: Fri Apr 4 12:08:43 BST 2014

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