September 2013 Archives by thread

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Starting: Mon Sep 2 13:17:19 BST 2013
Ending: Sat Sep 28 10:52:31 BST 2013
Messages: 49

• [molpro-user] Convergence problem in CPHF   Moilanen Jani
• [molpro-user] Question about stepmax   mingkai
  • [molpro-user] Question about stepmax   Andy May
• [molpro-user] Rotating orbitals in RMP2   Grant Hill
• [molpro-user] selection of CAS   A.Zech at stud.uni-heidelberg.de
  • [molpro-user] selection of CAS   Peter Knowles
• [molpro-user] basis set specification in CCSD-F12   Falcetta, Michael F.
  • [molpro-user] basis set specification in CCSD-F12   Peterson, Kirk
  • [molpro-user] basis set specification in CCSD-F12   Grant Hill
• [molpro-user] Both of RS2 and DF-RS2 are very slow   Kenny W
  • [molpro-user] Both of RS2 and DF-RS2 are very slow   Hans-Joachim Werner
• [molpro-user] Linking problem with molpro.2012.1.4   Aristotle Papakondylis
  • [molpro-user] Linking problem with molpro.2012.1.4   Andy May
  • [molpro-user] Linking problem with molpro.2012.1.4   Jeff Hammond
• [molpro-user] Curves not smooth   Bhargava Anusuri
  • [molpro-user] Curves not smooth   Bhargava Anusuri
    • [molpro-user] Curves not smooth   Peterson, Kirk
• [molpro-user] visualization of natural orbitals   SIMIL THOMAS
  • [molpro-user] visualization of natural orbitals   Jacky LIEVIN
• [molpro-user] Test jobs failure problem with latest MOLPRO version 2012.1.4   G Mahesh
  • [molpro-user] Test jobs failure problem with latest MOLPRO version 2012.1.4   Andy May
• [molpro-user] How to calculate accurate spin-orbit splitting in sodium   Guenter Klatt
  • [molpro-user] How to calculate accurate spin-orbit splitting in sodium   Peterson, Kirk
    • [molpro-user] How to calculate accurate spin-orbit splitting in sodium   Peterson, Kirk
• [molpro-user] *.wfu files   Zongtang Fang
• [molpro-user] Non convergence in MRCI calculation   Assaf Joumana
• [molpro-user] DFT-SAPT   brijesh kumar
  • [molpro-user] DFT-SAPT   Andreas Hesselmann
  • [molpro-user] DFT-SAPT   Andreas Hesselmann
• [molpro-user] a question out of curiosity   Andy May
• [molpro-user] Error in ci test jobs   Elisa Rebolini
  • [molpro-user] Error in ci test jobs   Andy May
    • [molpro-user] Error in ci test jobs   Elisa Rebolini
      • [molpro-user] Error in ci test jobs   Andy May
      • [molpro-user] Error in ci test jobs   Elisa Rebolini
• [molpro-user] unable to run test jobs   bhaskar sharma
  • [molpro-user] unable to run test jobs   Andy May
• [molpro-user] problems in convergence for DFT-SAPT   bhaskar sharma
• [molpro-user] (no subject)   Youssef Aghlallou
  • [molpro-user] (no subject)   Peterson, Kirk
• [molpro-user] Question about transition dipole moment   mingkai
• [molpro-user] Disabling Spin symmetry   G Mahesh
• [molpro-user] "ARMCI DASSERT fail" on df-lccsdt-f12 with Molpro 2012.1 after 'computing T2S/ST2S on-the-fly'   Edrisse Chermak
  • [molpro-user] "ARMCI DASSERT fail" on df-lccsdt-f12 with Molpro 2012.1 after 'computing T2S/ST2S on-the-fly'   Jeff Hammond
    • [molpro-user] "ARMCI DASSERT fail" on df-lccsdt-f12 with Molpro 2012.1 after 'computing T2S/ST2S on-the-fly'   Edrisse Chermak
• [molpro-user] AIMS not reading inital momenta   Gabriel Freitas
• [molpro-user] ./configure -Block failed in 2012.1.2   Kenny W
  • [molpro-user] ./configure -Block failed in 2012.1.2   Roberto Olivares-Amaya
    • [molpro-user] ./configure -Block failed in 2012.1.2   Kenny W

Last message date: Sat Sep 28 10:52:31 BST 2013
Archived on: Fri Apr 4 12:08:51 BST 2014

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