December 2016 Archives by thread

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Starting: Wed Dec 7 17:32:47 CET 2016
Ending: Fri Dec 30 07:13:29 CET 2016
Messages: 27

• [molpro-user] Ask help on molpro calculation as a new user   Yin,Shi
  • [molpro-user] Ask help on molpro calculation as a new user   Peterson, Kirk
    • [molpro-user] Ask help on molpro calculation as a new user   Yin,Shi
  • [molpro-user] Ask help on molpro calculation as a new user   Terry Frankcombe
• [molpro-user] Density Fitting for Dunning DZP basis?   Seth Olsen
  • [molpro-user] Density Fitting for Dunning DZP basis?   Werner Győrffy
  • [molpro-user] Density Fitting for Dunning DZP basis?   Peterson, Kirk
• [molpro-user] Root passed to geometry optimization in RS2   Dawid das
• [molpro-user] About Size consistent problem in O2H+   george
  • [molpro-user] About Size consistent problem in O2H+   CheikhTidiane BOP
• [molpro-user] Limitation for number of active orbitals in RS2 in Molpro 2015.1   Dawid das
• [molpro-user] Forcing occupation numbers for HF initial guess   Nike Dattani
  • [molpro-user] Forcing occupation numbers for HF initial guess   Peterson, Kirk
  • [molpro-user] Fwd: Forcing occupation numbers for HF initial guess   Jacky LIEVIN
• [molpro-user] SO calculation problem   Wanlu Li
  • [molpro-user] SO calculation problem   Peterson, Kirk
  • [molpro-user] SO calculation problem   Alexander Mitrushchenkov
• [molpro-user] Molpro-user Digest, Vol 101, Issue 8   Nike Dattani
  • [molpro-user] Molpro-user Digest, Vol 101, Issue 8   Peterson, Kirk
• [molpro-user] molpro command not found   hüseyin aksu
  • [molpro-user] molpro command not found   Tatiana Korona
• [molpro-user] Calculation of C6 and C9 dispersion coefficients in propag_util.F and new_propag_util.F   Paul Jerabek
  • [molpro-user] Calculation of C6 and C9 dispersion coefficients in propag_util.F and new_propag_util.F   Tatiana Korona
• [molpro-user] Gradients for SA-CASSCF   Wook Lee
• [molpro-user] values for --tuning-mpplat and --tuning-mppspeed   Gershom (Jan) Martin
  • [molpro-user] values for --tuning-mpplat and --tuning-mppspeed   Hans-Joachim Werner
• [molpro-user] memory problem in MRCI calculation with 2015.1 version   侯世林

Last message date: Fri Dec 30 07:13:29 CET 2016
Archived on: Fri Dec 30 09:37:12 CET 2016

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