March 2008 Archives by thread

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Starting: Mon Mar 3 01:59:21 GMT 2008
Ending: Mon Mar 31 07:11:36 BST 2008
Messages: 29

• [molpro-user] gmainv1 failure   csong
  • [molpro-user] gmainv1 failure   Kirk Peterson
• [molpro-user] {SPAM}? problem for extend basis set   譚景誠
  • {SPAM}? [molpro-user] {SPAM}? problem for extend basis set   Gerald Knizia
• [molpro-user] CASPT2 and MOLPRO   Oscar Rubio Pons
• {SPAM}? Re: Re: [molpro-user] gmainv1 failure   csong
• [molpro-user] Dipole moment from mp2/rmp2 for (restricted) open shell system   Bastiaan J. Braams
  • {SPAM}? Re: [molpro-user] Dipole moment from mp2/rmp2 for (restricted) open shell system   ishii at tcl.t.u-tokyo.ac.jp
    • {SPAM}? {SPAM}? Re: [molpro-user] Dipole moment from mp2/rmp2 for (restricted) open shell system   Gerald Knizia
      • {SPAM}? {SPAM}? Re: [molpro-user] Dipole moment from mp2/rmp2 for (restricted) open shell system   ishii at tcl.t.u-tokyo.ac.jp
• [molpro-user] memory in used and the memory option   pebblepeddle at gmail.com
• [molpro-user] {SPAM}?   akpathak at barc.gov.in
• [molpro-user] small problem with delta(HF) in DF-SAPT   Glen Jenness
• [molpro-user] Non-Davidson full CI   Terry Frankcombe
• [molpro-user] Integral thresholds for CCSD(T)   Mikael Johansson
  • [molpro-user] Integral thresholds for CCSD(T)   Gerald Knizia
• [molpro-user] Davidson and Pople correction in MRCI   Lorenzo Lodi
  • [molpro-user] Davidson and Pople correction in MRCI   Lorenzo Lodi
• [molpro-user] Methods for conical intersection optimisation   Tom Keal
• [molpro-user] Problem with State-Averaging and RASSCF   John Sears
  • [molpro-user] Problem with State-Averaging and RASSCF   Kirk Peterson
• [molpro-user] Basis set input with density fitting basis set   Peter Burger
  • [molpro-user] Basis set input with density fitting basis set   Kirk Peterson
• [molpro-user] Z-matrix optimization error with Multi   John Sears
• [molpro-user] Problems with SLAPAF when using Cs symmetry   Olivier Vieuxmaire
• [molpro-user] What does " ONEINT: MBLU TOO SMALL" error mean and how do I get around it?   Dr. Seth Olsen
• [molpro-user] FCI memory leak?   franc at thch.unipg.it
  • [molpro-user] FCI memory leak?   Peter Knowles
• [molpro-user] parallel readvar   Terry Frankcombe

Last message date: Mon Mar 31 07:11:36 BST 2008
Archived on: Fri Apr 4 12:08:38 BST 2014

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