February 2002 Archives by thread

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Starting: Fri Feb 8 11:25:24 GMT 2002
Ending: Thu Feb 28 06:49:03 GMT 2002
Messages: 30

• Molpro mailing list restored   Peter Knowles
• Reading exported orbitals   Ioannis Kerkines
• solution: "DECthreads bugcheck" on Alpha workstations   Gershom (Jan M.L.) Martin
• ./configure -mpp or -mppx??   Jen-Shiang Kenny Yu
  • ./configure -mpp or -mppx??   Peter Knowles
• optimised blas/lapack for molpro 2000   Wheeler, Dr M.D.
  • optimised blas/lapack for molpro 2000   Kirk Peterson
• Dyson orbitals with MOLPRO   Benoit BRAIDA
• MPI problem: n(cpu) limited to 2   Elmar Gerwalin
• Is it possible to overcome the restriction to 32 active orbitals?   Philipp Spuhler
  • Is it possible to overcome the restriction to 32 active orbitals?   Peter Knowles
• Problems with calculating gradients for EOM-CC energy   Evgeniy Gromov
  • Problems with calculating gradients for EOM-CC energy   Tatiana Korona
• core ions and CI   Alexander Thiel
• Memory Allocation Problem   Ioannis Kerkines
• renormalizations of the polarization sets done by MOLPRO on the MOLDEN input file   Dave Moore
  • renormalizations of the polarization sets done by MOLPRO on the MOLDEN input file   Peter Knowles
• Memory allocation for Molpro   H. -J. Werner
• EOM-CCSD   Evgeniy Gromov
• File formats for plotting   Leif Laaksonen
  • large files under RedHat 7.2   Gershom (Jan M.L.) Martin
    • large files under RedHat 7.2   Elmar Gerwalin
      • large files under RedHat 7.2   Jochen Küpper
      • large files under RedHat 7.2   Thomas Weber
• No subject   Charlie Bauschlicher
• make test failure   Jochen Küpper
  • make test failure   Elmar Gerwalin
• basis set linear dependency   Baudilio TEJERINA
• blas   David W. Schwenke
  • blas   Peter Knowles

Last message date: Thu Feb 28 06:49:03 GMT 2002
Archived on: Fri Apr 4 12:08:29 BST 2014

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