November 2005 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]

Starting: Thu Nov 3 12:15:35 GMT 2005
Ending: Wed Nov 30 05:01:28 GMT 2005
Messages: 39

• [molpro-user] Diabatization.   Katarzyna PIECHOWSKA
  • [molpro-user] CPMCSCF changes density matrices   Aaron Virshup
    • [molpro-user] CPMCSCF changes density matrices   H. -J. Werner
• [molpro-user] ci bug or something?   liuxj at iccas.ac.cn
• [molpro-user] MPI parallel jobs over TCP/IP   Kirk Peterson
• [molpro-user] PGI's optimization tips for Opteron   Scott Yockel
  • [molpro-user] PGI's optimization tips for Opteron   Nick Wilson
• [molpro-user] Too many entries in record 3101.2   Ioannis Kerkines
• [molpro-user] Instability problems   Constantine Koukounas
  • [molpro-user] Instability problems   Yann P. Tambouret
    • [molpro-user] Instability problems   Kirk Peterson
• [molpro-user] Shared memory   John Sears
• [molpro-user] CI vector   liuxj at iccas.ac.cn
• No subject   liuxj at iccas.ac.cn
• [molpro-user] Calculating Frequencies with dummy atoms   Jeremy Merritt
  • [molpro-user] Calculating Frequencies with dummy atoms   Gutowski, Maciej S
• [molpro-user] MOLPRO experiences with dual core Opteron machines   Gershom (Jan M.L.) Martin
• [molpro-user] Problems with defining singlet-A" states   Evans, Dr C.J.
• [molpro-user] MOLPRO on dual-core AMD Opteron   Gershom (Jan M.L.) Martin
• [molpro-user] Optimizing the squared energy difference of distinct states with molpro   Dr Seth Olsen
  • [molpro-user] Optimizing the squared energy difference of distinct states with molpro   Dr Seth Olsen
• [molpro-user] IBM AIX out of paging space   Mehdi Bounouar
• [molpro-user] Finite Field Calculation   Utpal Sarkar
  • [molpro-user] Finite Field Calculation   Utpal Sarkar
• [molpro-user] Na+, BSSE   erol yildirim
  • [molpro-user] Na+, BSSE   erol yildirim
    • [molpro-user] Na+, BSSE   Peter Knowles
• [molpro-user] Can MOLPRO deal with the open-shell system by using QCISD(T)   ???
• [molpro-user] Can MOLPRO deal with the open-shell system by using QCISD(T) method?   陆瑞锋
  • [molpro-user] Can MOLPRO deal with the open-shell system by using QCISD(T) method?   Lu Ruifeng
  • [molpro-user] Re: Can MOLPRO deal with the open-shell system by using QCISD(T) method?   Ryan Phillip Anthony Bettens
    • [molpro-user] Re: Can MOLPRO deal with the open-shell system by using QCISD(T) method?   Haitao Ma
• [molpro-user] Number of excited states: multi vs single reference methods   Joseph Lane
• [molpro-user] Transition dipole moment, phase convention   Allan East
• [molpro-user] "Unreasonable NORM." problem   Boris Averkiev
• [molpro-user] convergence of mcscf gradient calculation (fwd)   Rika Kobayashi
  • [molpro-user] convergence of mcscf gradient calculation (fwd)   Dr Seth Olsen
• [molpro-user] Electrostatic potentials in a Cube File   Dr. Seth Olsen
• [molpro-user] Problem with MP2 for Cs+   Christof Woell

Last message date: Wed Nov 30 05:01:28 GMT 2005
Archived on: Fri Apr 4 12:08:34 BST 2014

• Messages sorted by: [ subject ] [ author ] [ date ]