January 2015 Archives by thread

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Starting: Thu Jan 1 04:03:44 GMT 2015
Ending: Thu Jan 29 11:40:55 GMT 2015
Messages: 33

• [molpro-user] ZERO POINT ENERGY   Martin Spenke
  • [molpro-user] ZERO POINT ENERGY   Lee E.P.F.
• [molpro-user] geometry optimization   Martin Spenke
  • [molpro-user] geometry optimization   Peterson, Kirk
• [molpro-user] computing thermodyanmical properties using the frequencies stored in the .wfu file   george
• [molpro-user] About RS2 gradients   Alan Chien
• [molpro-user] questions about SCS-MP2   Wanlu Li
  • [molpro-user] questions about SCS-MP2   Grant Hill
    • [molpro-user] questions about SCS-MP2   Tatiana Korona
  • [molpro-user] questions about SCS-MP2   Werner Győrffy
• [molpro-user] Freq MRCI symmetry   Sharapa
• [molpro-user] SACASSCF in MOLPRO & ORCA   Davood Alizadeh
  • [molpro-user] SACASSCF in MOLPRO & ORCA   Grant Hill
    • [molpro-user] SACASSCF in MOLPRO & ORCA   Davood Alizadeh
• [molpro-user] Error in SCF (dsyevd failure)   Ouyang Fengcong John
  • [molpro-user] Error in SCF (dsyevd failure)   Peter Knowles
• [molpro-user] Problem running Molpro   Bhargava Anusuri
  • [molpro-user] Problem running Molpro   Andy May
• [molpro-user] error with PROC   C. Franklin Goldsmith
• [molpro-user] does this MRCC interface stub still have a purpose?   Gershom (Jan) Martin
  • [molpro-user] does this MRCC interface stub still have a purpose?   Peter Knowles
    • [molpro-user] does this MRCC interface stub still have a purpose?   Peterson, Kirk
• [molpro-user] FCI converges to wrong excited state?   Lorenzo Lodi
  • [molpro-user] FCI converges to wrong excited state?   Peter Knowles
    • [molpro-user] FCI converges to wrong excited state?   Lorenzo Lodi
• [molpro-user] Calculation of L_z and L^2   Robert Polly
  • [molpro-user] Fwd: Problems with parallel build on AMD Opteron(tm) Processor 6376   molpro-user
    • [molpro-user] Fwd: Problems with parallel build on AMD Opteron(tm) Processor 6376   Reuti
    • [molpro-user] Fwd: Problems with parallel build on AMD Opteron(tm) Processor 6376   Tuononen Heikki
• [molpro-user] minor bug? - restart,nogeom and multi   Sve N
  • [molpro-user] minor bug? - restart,nogeom and multi   Peter Knowles
  • [molpro-user] minor bug? - restart,nogeom and multi   Hans-Joachim Werner
• [molpro-user] Dyson orbital help   Satyam Srivastava

Last message date: Thu Jan 29 11:40:55 GMT 2015
Archived on: Thu Jan 29 18:29:21 GMT 2015

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