June 2013 Archives by thread

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Starting: Sat Jun 1 08:08:47 BST 2013
Ending: Sun Jun 30 16:48:27 BST 2013
Messages: 68

• [molpro-user] molpro command not found   elkeshavarz5 at sci.ui.ac.ir
  • [molpro-user] molpro command not found   Andy May
  • [molpro-user] molpro command not found   elkeshavarz5 at sci.ui.ac.ir
• [molpro-user] -nocxx option when configuring Molpro installation   Evgeniy Gromov
  • [molpro-user] -nocxx option when configuring Molpro installation   Andy May
    • [molpro-user] -nocxx option when configuring Molpro installation   Evgeniy Gromov
      • [molpro-user] -nocxx option when configuring Molpro installation   Andy May
• [molpro-user] "Decompression error" with parallel molpro   R. David
  • [molpro-user] "Decompression error" with parallel molpro   Andy May
• [molpro-user] Cannot find default basis AVTZ for atom He for CCSD(T)-F12 calculation   zhenglimin
  • [molpro-user] Cannot find default basis AVTZ for atom He for CCSD(T)-F12 calculation   Grant Hill
  • [molpro-user] Cannot find default basis AVTZ for atom He for CCSD(T)-F12 calculation   Andy May
• [molpro-user] CCSD restart   Shachar Klaiman
• [molpro-user] query   diwaker kumar
• [molpro-user] strategy for MCSCF excited state geometry optimization   Hrusak Jan
• [molpro-user] A short technical question on EOM-CCSD in Molpro   Evgeniy Gromov
• [molpro-user] printing scf orbital energies with more digits   Shachar Klaiman
  • [molpro-user] printing scf orbital energies with more digits   Peter Knowles
    • [molpro-user] printing scf orbital energies with more digits   Tatiana Korona
      • [molpro-user] printing scf orbital energies with more digits   Shachar Klaiman
  • [molpro-user] printing scf orbital energies with more digits   Zork Zou
• [molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations   Evgeniy Gromov
  • [molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations   Jeff Hammond
  • [molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations   Evgeniy Gromov
• [molpro-user] Continuing a previous calculation involving do loops   Robin Shannon
• [molpro-user] Some problems with nevPT2 and CASPT2 calculations.   Łukasz Wolański
• [molpro-user] MP2 Calculations - Does Molpro freeze the core electrons for the MP2 method?   Brian Napolion
  • [molpro-user] MP2 Calculations - Does Molpro freeze the core electrons for the MP2 method?   Peterson, Kirk
• [molpro-user] no check error   diwaker kumar
• [molpro-user] DDR procedure   diwaker kumar
  • [molpro-user] DDR procedure   Peterson, Kirk
• [molpro-user] timelimit error   elkeshavarz5 at sci.ui.ac.ir
  • [molpro-user] timelimit error   Andy May
• [molpro-user] How to core electron   yangchuanlu
  • [molpro-user] How to core electron   Peterson, Kirk
• [molpro-user] Fwd: C8 disp coefficient   Yulia Kalugina
  • [molpro-user] Fwd: C8 disp coefficient   Tatiana Korona
    • [molpro-user] Fwd: C8 disp coefficient   Yulia Kalugina
• [molpro-user] RCCSD and UCCSD total energy   Quan Phung
• [molpro-user] CP-MCSCF convergence   Hrusak Jan
• [molpro-user] Many-body expansion module in molpro 2012.1 / input file format   Richard Hatz
  • [molpro-user] Many-body expansion module in molpro 2012.1 / input file format   Andy May
• [molpro-user] error during executation of molpro   ancborin at iq.usp.br
  • [molpro-user] error during executation of molpro   Andy May
• [molpro-user] Shared memory question in CCSD(T) calculations   Jani Salo
  • [molpro-user] Shared memory question in CCSD(T) calculations   Manhui Wang
    • [molpro-user] Shared memory question in CCSD(T) calculations   Jani Salo
      • [molpro-user] Shared memory question in CCSD(T) calculations   Manhui Wang
  • [molpro-user] Shared memory question in CCSD(T) calculations   Sve N
• [molpro-user] Gradients with integral direct calculations   Gabriel Freitas
  • [molpro-user] Gradients with integral direct calculations   Werner Gyorffy
• [molpro-user] Forces with CCSD(T)   Gabriel Freitas
  • [molpro-user] Forces with CCSD(T)   Peterson, Kirk
• [molpro-user] two configuration SCF with fixed coefficients   David Danovich
• [molpro-user] A question about LMP2   Yang Guo
  • [molpro-user] A question about LMP2   Hans-Joachim Werner
• [molpro-user] Time limit exceded - AIMS   Gabriel Freitas
  • [molpro-user] Time limit exceded - AIMS   Andy May
• [molpro-user] Octupole Moments via Finite Field   Christian Cioce
• [molpro-user] error   Shachar Klaiman
  • [molpro-user] error   Manhui Wang
    • [molpro-user] error   Shachar Klaiman
      • [molpro-user] error   Andy May
• [molpro-user] Functionality of new MRCIC code   Lorenzo Lodi
• [molpro-user] Too many records - reservem   Gabriel Freitas
  • [molpro-user] Too many records - reservem   Hans-Joachim Werner
• [molpro-user] Question on MRCI energies in multi-state calculations   Lorenzo Lodi
  • [molpro-user] Question on MRCI energies in multi-state calculations   Peterson, Kirk

Last message date: Sun Jun 30 16:48:27 BST 2013
Archived on: Fri Apr 4 12:08:50 BST 2014

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