February 2014 Archives by thread

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Starting: Sat Feb 1 09:54:31 GMT 2014
Ending: Fri Feb 28 08:00:54 GMT 2014
Messages: 40

• [molpro-user] problem in sapt   Uma Devi
  • [molpro-user] problem in sapt   Andy May
• [molpro-user] gmainv1 failure to allocate - what to do?   Manhui Wang
• [molpro-user] bad casscf convergence with cpmcscf directive   Sve N
  • [molpro-user] bad casscf convergence with cpmcscf directive   Sve N
• [molpro-user] Closed-shell orbitals   Dawid das
  • [molpro-user] Closed-shell orbitals   Peterson, Kirk
• [molpro-user] MRCISD+Q calculations   Dawid das
  • [molpro-user] MRCISD+Q calculations   Dawid das
    • [molpro-user] MRCISD+Q calculations   Kirk Peterson
• [molpro-user] MRCC options   Rika Kobayashi
• [molpro-user] insufficient memory in molpro   Yang Yang
  • [molpro-user] insufficient memory in molpro   Andy May
    • [molpro-user] insufficient memory in molpro   Grigory Shamov
      • [molpro-user] insufficient memory in molpro   Andy May
• [molpro-user] Triplet state calculations   Alan Chien
  • [molpro-user] Triplet state calculations   Kirk Peterson
  • [molpro-user] Triplet state calculations   binjiang.nju
    • [molpro-user] Triplet state calculations   Alan Chien
      • [molpro-user] Triplet state calculations   Alan Chien
      • [molpro-user] Triplet state calculations   Andy May
      • [molpro-user] Triplet state calculations   Alan Chien
      • [molpro-user] Triplet state calculations   Alan Chien
  • [molpro-user] Triplet state calculations   Chen Jun
• [molpro-user] Installing Parallel Molpro w/OpenMPI   Alan Chien
  • [molpro-user] Installing Parallel Molpro w/OpenMPI   Andy May
• [molpro-user] print Configuration State Functions   Kaveh Haghighi Mood
  • [molpro-user] print Configuration State Functions   Peter Knowles
    • [molpro-user] print Configuration State Functions   Kaveh Haghighi Mood
      • [molpro-user] print Configuration State Functions   Peter Knowles
• [molpro-user] excited state geometry optimization   Subhendu Ghosh
• [molpro-user] save/start,task in frequency calculations   Jacky LIEVIN
• [molpro-user] Installation troubles with molpro   Benji Wakely
  • [molpro-user] Installation troubles with molpro   Jacek Antoni Klos
  • [molpro-user] Installation troubles with molpro   Andy May
• [molpro-user] DMRG and FCIQMC with NBO6   Joe Greenstone
• [molpro-user] Expectation of second moment and kinetic energy   Yannis Petousis
  • [molpro-user] Expectation of second moment and kinetic energy   Peter Knowles
• [molpro-user] IR intensity of linear molecule   ZOUWL
• [molpro-user] wrong atomic ordering in Molden file   ZOUWL

Last message date: Fri Feb 28 08:00:54 GMT 2014
Archived on: Fri Apr 4 12:08:52 BST 2014

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