June 2011 Archives by thread

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Starting: Wed Jun 1 02:30:04 BST 2011
Ending: Thu Jun 30 10:03:11 BST 2011
Messages: 63

• [molpro-user] large number of excited states   Heather Jaeger
  • [molpro-user] large number of excited states   Peter Knowles
    • [molpro-user] large number of excited states   Heather Jaeger
• [molpro-user] ERROR WRITING   Kirk Peterson
• [molpro-user] RASSCF question   Susana Gomez
  • [molpro-user] RASSCF question   Toru Shiozaki
• [molpro-user] How to define occ, closed and core n1, n2, n3, n4, n5, n6, n7, n8?   Neeraj Rai
• [molpro-user] Oxygen atom   Stephen Harrison
  • [molpro-user] Oxygen atom   Peter Knowles
  • [molpro-user] Oxygen atom   Kirk Peterson
• [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Gregory Magoon
  • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Andy May
    • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Gregory Magoon
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Andy May
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Gregory Magoon
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Andy May
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Gregory Magoon
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Andy May
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Gregory Magoon
• [molpro-user] Intel fopt flags and molpro 2006.1   Mark Dixon
  • [molpro-user] Intel fopt flags and molpro 2006.1   Mark Dixon
    • [molpro-user] Intel fopt flags and molpro 2006.1   Andy May
      • [molpro-user] Intel fopt flags and molpro 2006.1   Mark Dixon
• [molpro-user] compilation failure with PGI 11.4 and openmp   Martin Diefenbach
  • [molpro-user] compilation failure with PGI 11.4 and openmp   Reuti
  • [molpro-user] compilation failure with PGI 11.4 and openmp   Andy May
    • [molpro-user] compilation failure with PGI 11.4 and openmp   Martin Diefenbach
• [molpro-user] Hyperpolarizabilities and Tables   Michael Morris
  • [molpro-user] Hyperpolarizabilities and Tables   Peter Knowles
  • [molpro-user] Hyperpolarizabilities and Tables   Tatiana Korona
• [molpro-user] Density fitting with ECP's   s snow6
  • [molpro-user] Density fitting with ECP's   Gerald Knizia
• [molpro-user] Compiling molpro2010 - parallel version   Holger Naundorf
  • [molpro-user] Compiling molpro2010 - parallel version   Andy May
    • [molpro-user] Compiling molpro2010 - parallel version   Holger Naundorf
      • [molpro-user] Compiling molpro2010 - parallel version   Andy May
• [molpro-user] (no subject)   george
• [molpro-user] mrci error   Mintz, Benjamin J.
  • [molpro-user] mrci error   Andy May
• [molpro-user] Convergence Issues With DIP/QUAD   Michael Morris
  • [molpro-user] Convergence Issues With DIP/QUAD   Gerald Knizia
    • [molpro-user] Convergence Issues With DIP/QUAD   Tatiana Korona
• [molpro-user] Parser: vector out of boundary (8)   Yulia Kalugina
• [molpro-user] Understanding the output of calculated expectation values   Z.Masin
  • [molpro-user] Understanding the output of calculated expectation values   Z.Masin
• [molpro-user] Strange results in DMZ calculations   Aris Mitropoulos
• [molpro-user] Installation Molpro 2010.1.22   Artur Ukleja
  • [molpro-user] Installation Molpro 2010.1.22   Andy May
    • [molpro-user] Installation Molpro 2010.1.22   Artur Ukleja
      • [molpro-user] Installation Molpro 2010.1.22   Andy May
      • [molpro-user] Installation Molpro 2010.1.22   Artur Ukleja
      • [molpro-user] Installation Molpro 2010.1.22   Andy May
• [molpro-user] MEP calculations - basic questions   Borys Szefczyk
  • [molpro-user] MEP calculations - basic questions   Evgeniy Gromov
  • [molpro-user] MEP calculations - basic questions   Alexander Mitrushchenkov
• [molpro-user] small basis library glitch+fix   Gershom (Jan) Martin
  • [molpro-user] small basis library glitch+fix   Kirk Peterson
    • [molpro-user] small basis library glitch+fix   Kirk Peterson
• [molpro-user] spin singlet double excited state   Matija HUZAK
  • [molpro-user] spin singlet double excited state   Peter Knowles
  • [molpro-user] spin singlet double excited state   Kirk Peterson
• [molpro-user] how to display electronic orbital angular momentum   Hartree
• [molpro-user] Visualization of Molpro output files   Hartree

Last message date: Thu Jun 30 10:03:11 BST 2011
Archived on: Fri Apr 4 12:08:45 BST 2014

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