October 2014 Archives by thread

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Starting: Wed Oct 1 04:55:08 BST 2014
Ending: Fri Oct 31 21:44:55 GMT 2014
Messages: 45

• [molpro-user] Memory in Parallel   Eric Jon Sundstrom
  • [molpro-user] Memory in Parallel   Alan Chien
• [molpro-user] input for mixed isotopes ?   Peterson, Kirk
• [molpro-user] RHF triplet orbital energies?   Alan Chien
• [molpro-user] P86 functional difference between Molpro and Gaussian09   Jason Goodpaster
  • [molpro-user] P86 functional difference between Molpro and Gaussian09   Susi Lehtola
• [molpro-user] Molpro-user Digest, Vol 75, Issue 3   John Montgomery
• [molpro-user] Too many active orbitals in MRCISD calculations.   Dawid das
  • [molpro-user] Too many active orbitals in MRCISD calculations.   Dawid das
    • [molpro-user] Too many active orbitals in MRCISD calculations.   Michael Banck
• [molpro-user] Energies of different states with MCSCF.   Dawid das
  • [molpro-user] Energies of different states with MCSCF.   Andy May
    • [molpro-user] Energies of different states with MCSCF.   Michael Banck
• [molpro-user] Variable from FORCE program   Soudakov, Alexander Vasilyevich
  • [molpro-user] Variable from FORCE program   Tatiana Korona
• [molpro-user] Excited State Vibrational Frequencies with MCSCF   Alan Chien
• [molpro-user] Failed test jobs in MOLPRO 2012.1.17   Meghna Manae
  • [molpro-user] Failed test jobs in MOLPRO 2012.1.17   Andy May
• [molpro-user] Freezing open-shell orbitals in MCSCF/CI   Timothy Wright
  • [molpro-user] Freezing open-shell orbitals in MCSCF/CI   Grant Hill
• [molpro-user] Quadrupole Polarizability of Cu+ cation   Jing Yang
  • [molpro-user] Quadrupole Polarizability of Cu+ cation   Leonid Shirkov
    • [molpro-user] Quadrupole Polarizability of Cu+ cation   Jing At Penn
      • [molpro-user] Quadrupole Polarizability of Cu+ cation   Tatiana Korona
      • [molpro-user] Quadrupole Polarizability of Cu+ cation   JING YANG
      • [molpro-user] Quadrupole Polarizability of Cu+ cation   Andy May
• [molpro-user] Linesearch   Satyam Srivastava
• [molpro-user] Fwd: Linesearch   Satyam Srivastava
  • [molpro-user] Fwd: Linesearch   Andy May
    • [molpro-user] Fwd: Fwd: Linesearch   Satyam Srivastava
      • [molpro-user] Fwd: Fwd: Linesearch   Andy May
• [molpro-user] ANO-RCC basis set in Molpro   rudraditya sarkar
  • [molpro-user] ANO-RCC basis set in Molpro   Peterson, Kirk
• [molpro-user] Extra function on Atom   Jyotirmoy Ray
  • [molpro-user] Extra function on Atom   Grant Hill
    • [molpro-user] Extra function on Atom   Tatiana Korona
• [molpro-user] symmetry in molpro   Pierre Archirel
  • [molpro-user] symmetry in molpro   Grant Hill
    • [molpro-user] Illegal ECP center   Jing Yang
      • [molpro-user] Illegal ECP center   Grant Hill
      • [molpro-user] Illegal ECP center   Andy May
      • [molpro-user] Illegal ECP center   Jing At Penn
• [molpro-user] MXDOMT exceeded 59712   Hanusha Bhakhoa
• [molpro-user] Selection of certain orbitals to correlate   Quan Phung
• [molpro-user] Where should I put CPHF line in the MP2 calculation?   Jing Yang

Last message date: Fri Oct 31 21:44:55 GMT 2014
Archived on: Sat Nov 1 06:54:33 GMT 2014

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