May 2011 Archives by thread

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Starting: Tue May 3 01:36:44 BST 2011
Ending: Tue May 31 18:39:11 BST 2011
Messages: 65

• [molpro-user] density fitting with ECP or DKH   Zork Zou
  • [molpro-user] density fitting with ECP or DKH   Grant Hill
• [molpro-user] CI spin density   Peter Knowles
• [molpro-user] Molpro 2010.1 PL20 compilation problem with openmpi 1.4.1 and ga-5-0-2   Panwang Zhou
  • [molpro-user] Molpro 2010.1 PL20 compilation problem with openmpi 1.4.1 and ga-5-0-2   Andy May
  • [molpro-user] Molpro 2010.1 PL20 compilation problem with openmpi 1.4.1 and ga-5-0-2   Panwang Zhou
• [molpro-user] Solid State Drives   Joseph Lane
  • [molpro-user] Solid State Drives   Jacek Antoni Klos
    • [molpro-user] Solid State Drives   Joseph Lane
  • [molpro-user] Solid State Drives   T.M.D. Graen
• [molpro-user] Too low energies in CI   Łukasz Miądowicz
  • [molpro-user] Too low energies in CI   Kirk Peterson
• [molpro-user] different basis functions for different nitrogen atoms   Zork Zou
  • [molpro-user] different basis functions for different nitrogen atoms   Tatiana Korona
    • [molpro-user] different basis functions for different nitrogen atoms   Zork Zou
  • [molpro-user] different basis functions for different nitrogen atoms   Kirk Peterson
  • [molpro-user] different basis functions for different nitrogen atoms   t s venkatesan
• [molpro-user] error while executing ccsd with molpro201.1-13   Hans Vansweevelt
  • [molpro-user] error while executing ccsd with molpro201.1-13   Hans Vansweevelt
• [molpro-user] Variable Released   Ghazal Mashhadiagha
  • [molpro-user] Variable Released   Kirk Peterson
  • [molpro-user] cc-pwCV5Z-DK basis sets for Al-Ar: MOLPRO 2010.1 basis set library error   Victor G. Solomonik
    • [molpro-user] cc-pwCV5Z-DK basis sets for Al-Ar: MOLPRO 2010.1 basis set library error   Andy May
• [molpro-user] energy gradient of MR-SO-CISD wavefunction   Jeong Sik Lim
  • [molpro-user] energy gradient of MR-SO-CISD wavefunction   Zork Zou
• [molpro-user] Problem with hight spin multiplicity   anirban mandal
  • [molpro-user] Problem with hight spin multiplicity   Peter Knowles
• [molpro-user] Cannot use ECP2 in Molpro2009   Toshimasa ISHIDA
  • [molpro-user] Cannot use ECP2 in Molpro2009   Kirk Peterson
    • [molpro-user] Cannot use ECP2 in Molpro2009   Peter Knowles
      • [molpro-user] Cannot use ECP2 in Molpro2009   Toshimasa ISHIDA
• [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   Gregory Magoon
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   chanchal haldar
      • [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   Gregory Magoon
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   chanchal haldar
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Manhui Wang
      • [molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04   Andy May
• [molpro-user] Modifying atomic charge   Peter Barfuss
  • [molpro-user] Modifying atomic charge   Thomas Ritschel
  • [molpro-user] Modifying atomic charge   Gerald Knizia
• [molpro-user] MEP calculations - basic questions   Borys Szefczyk
• [molpro-user] Where are left and right transition dipole moments calculated with eom-ccsd stored?   Evgeniy Gromov
  • [molpro-user] Where are left and right transition dipole moments calculated with eom-ccsd stored?   Tatiana Korona
    • [molpro-user] Where are left and right transition dipole moments calculated with eom-ccsd stored?   Evgeniy Gromov
• [molpro-user] error building Seward auxiliary files during Molpro installation   George McBane
  • [molpro-user] error building Seward auxiliary files during Molpro installation   Andy May
• [molpro-user] keyword nstatei question   bencsura
  • [molpro-user] keyword nstatei question   Andy May
• [molpro-user] Analytic frequency calculation   lydia
• [molpro-user] Problem executing molpro in molpro trial version   Sammer Tekarli
  • [molpro-user] Problem executing molpro in molpro trial version   Leon Freitag
• [molpro-user] analytical frequency with DKH   Zork Zou
• [molpro-user] Minimize function   Joseph Lane
• [molpro-user] How to define occ, closed and core n1, n2, n3, n4, n5, n6, n7, n8?   Wenjun Li
  • [molpro-user] How to define occ, closed and core n1, n2, n3, n4, n5, n6, n7, n8?   Grant Hill
  • [molpro-user] How to define occ, closed and core n1, n2, n3, n4, n5, n6, n7, n8?   Gerald Knizia
• [molpro-user] Restricted Active Space SCF calculation   Susana Gomez
• [molpro-user] Computing Frequencies using CASPT2   Pradeep Kumar
• [molpro-user] Molpro-user Digest, Vol 34, Issue 28   lydia
• [molpro-user] irc problem   gaosm09
• [molpro-user] ERROR WRITING   Ghazal Mashhadiagha

Last message date: Tue May 31 18:39:11 BST 2011
Archived on: Fri Apr 4 12:08:45 BST 2014

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