December 2014 Archives by thread

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Starting: Mon Dec 1 12:26:08 GMT 2014
Ending: Wed Dec 31 21:02:00 GMT 2014
Messages: 44

• [molpro-user] Data from different molecule after restart   Sabrina Kemmerer
• [molpro-user] spin density distribution with MRCI   David Danovich
• [molpro-user] Molpro.2012.1.18: "maxrec not big enough in getdefbas" and related issue   Robert Polly
  • [molpro-user] Molpro.2012.1.18: "maxrec not big enough in getdefbas" and related issue   Peterson, Kirk
• [molpro-user] calculation of electronic kinetic energy and potential energy for a molecule.   ankur gupta
  • [molpro-user] calculation of electronic kinetic energy and potential energy for a molecule.   Sabrina Kemmerer
    • [molpro-user] calculation of electronic kinetic energy and potential energy for a molecule.   ankur gupta
• [molpro-user] multi state CASPT2 method   Jyotirmoy Ray
• [molpro-user] LT-DF-LCC2 error   Scott McKechnie
  • [molpro-user] LT-DF-LCC2 error   Mohammad Momeni Taheri
    • [molpro-user] LT-DF-LCC2 error   Daniel Kats
      • [molpro-user] LT-DF-LCC2 error   Scott McKechnie
• [molpro-user] Degeneracy in MRCI calculation   Hyungjun Kim
  • [molpro-user] Degeneracy in MRCI calculation   Peterson, Kirk
  • [molpro-user] Degeneracy in MRCI calculation   Hyungjun Kim
• [molpro-user] BDE calculation of N-N-H(2+) --> N-N(2+) + H reaction using MRCI   David Danovich
  • [molpro-user] BDE calculation of N-N-H(2+) --> N-N(2+) + H reaction using MRCI   Peterson, Kirk
• [molpro-user] Reproducing Turbomole RI-CC2 results   Scott McKechnie
  • [molpro-user] Reproducing Turbomole RI-CC2 results   Daniel Kats
    • [molpro-user] Reproducing Turbomole RI-CC2 results   Scott McKechnie
• [molpro-user] Molpto 2012 installation trouble   DOGNON Jean-Pierre
  • [molpro-user] Molpto 2012 installation trouble   Andy May
• [molpro-user] About RS2 gradients   Ganglong Cui
• [molpro-user] water monomer excitation energy   Martin Spenke
  • [molpro-user] water monomer excitation energy   Peterson, Kirk
    • [molpro-user] water monomer excitation energy   Peterson, Kirk
      • [molpro-user] water monomer excitation energy   Peterson, Kirk
• [molpro-user] DFT-SAPT using pseudo-potential   bhaskar sharma
  • [molpro-user] DFT-SAPT using pseudo-potential   Grant Hill
• [molpro-user] Test a pre-installed molpro binary   Evgeniy Gromov
  • [molpro-user] Test a pre-installed molpro binary   Andy May
• [molpro-user] regarding potential energy operator (POT)   Ankur Kumar Gupta
• [molpro-user] Build problem with -Block option, and its solution   Hyunjun Ji
  • [molpro-user] Build problem with -Block option, and its solution   Andy May
• [molpro-user] Failed to determine PARSE   Bhargava Anusuri
  • [molpro-user] Failed to determine PARSE   Andy May
• [molpro-user] query regarding AIMC   Satyam Srivastava
  • [molpro-user] Fwd: query regarding AIMC   Satyam Srivastava
• [molpro-user] ZERO POINT ENERGY   Martin Spenke
  • [molpro-user] ZERO POINT ENERGY   Peter Reinhardt
    • [molpro-user] ZERO POINT ENERGY   Martin Spenke
      • [molpro-user] ZERO POINT ENERGY   binjiang.nju
      • [molpro-user] ZERO POINT ENERGY   Peterson, Kirk
      • [molpro-user] ZERO POINT ENERGY   berger at chem.helsinki.fi

Last message date: Wed Dec 31 21:02:00 GMT 2014
Archived on: Thu Jan 1 09:51:15 GMT 2015

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