April 2006 Archives by thread

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Starting: Sat Apr 1 17:51:11 BST 2006
Ending: Sun Apr 30 03:57:00 BST 2006
Messages: 42

• [molpro-user] integral thresholds   Ben Mintz
• [molpro-user] vibrational frequencies fail   MHT
• [molpro-user] ROHF in Molpro   Piotr Zuchowski
• [molpro-user] installing rpm   TOMAS VELOZ
• [molpro-user] Variables dmx, dmy, dmz not set by mp2, qci?   Bastiaan J. Braams
  • [molpro-user] Variables dmx, dmy, dmz not set by mp2, qci?   H. -J. Werner
• [molpro-user] Too many active orbitals in CASPT2 Calculation?   Brian Vest
  • [molpro-user] Too many active orbitals in CASPT2 Calculation?   Kirk Peterson
• [molpro-user] mrci CH stretch dipole incorrect?   Bryan Matthew Wong
• [molpro-user] GA MA Libraries or rpm (for parallel)   TOMAS VELOZ
  • [molpro-user] GA MA Libraries or rpm (for parallel)   Nick Wilson
• [molpro-user] ci diag2 problem   Constantine Koukounas
  • [molpro-user] ci diag2 problem   H. -J. Werner
    • [molpro-user] ci diag2 problem   Constantine Koukounas
    • [molpro-user] how to handle singlet diradical?   MHT
      • [molpro-user] how to handle singlet diradical?   H. -J. Werner
      • [molpro-user] how to handle singlet diradical?   Mikael Johansson
      • [molpro-user] how to handle singlet diradical?   MHT
• [molpro-user] Install OK, Tests fail   Jaroslaw Piwonski
  • [molpro-user] Install OK, Tests fail   Nick Wilson
    • [molpro-user] Install OK, Tests fail   Jaroslaw Piwonski
• [molpro-user] Spin-Orbital Coupling and Molecular orbitals coefficients   Wang Mingwei
  • [molpro-user] Spin-Orbital Coupling and Molecular orbitals coefficients   Peter Knowles
• [molpro-user] Disk space in EOM-CCSD   Dr. Seth Olsen
  • [molpro-user] Disk space in EOM-CCSD   Tatiana Korona
• [molpro-user] Configure problem on xeon emt64   Gerber Iann
  • [molpro-user] Configure problem on xeon emt64   Nick Wilson
• [molpro-user] Properties for doublet and triplet systems   Bastiaan J. Braams
• [molpro-user] problem with parallel molpro 2002-9/10, goto blas, and uccsd(t)   Benj FitzPatrick
• [molpro-user] Disk space in EOM-CCSD (fwd)   Tatiana Korona
• [molpro-user] symmetry presentation   Shireen Alfalah
• [molpro-user] Install OK, Tests fail   Jaroslaw Piwonski
• [molpro-user] Symmetry in Optimizations   Doran Bennett
  • [molpro-user] Imaginary Vibration Number problem   MHT
  • [molpro-user] Symmetry in Optimizations   Kirk Peterson
• [molpro-user] Gradients for CAS calculations   nmarshal at hermes.ccqc.uga.edu
• [molpro-user] How to debug molpro within gdb   Benj FitzPatrick
  • [molpro-user] How to debug molpro within gdb   Tatiana Korona
• [molpro-user] How to debug molpro within gdb   Benj FitzPatrick
• [molpro-user] CI problem   Constantine Koukounas
• [molpro-user] CI problem   Constantine Koukounas
• [molpro-user] [UPDATE] molpro EAF/writew error   Benj FitzPatrick

Last message date: Sun Apr 30 03:57:00 BST 2006
Archived on: Mon Aug 25 18:42:36 BST 2008

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