June 2006 Archives by thread

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Starting: Tue Jun 6 14:28:17 BST 2006
Ending: Fri Jun 30 13:44:42 BST 2006
Messages: 53

• [molpro-user] variable holding cartesian coordinates   William Chua
  • [molpro-user] variable holding cartesian coordinates   Peter Knowles
  • [molpro-user] variable holding cartesian coordinates   MOORE, DAVID
• [molpro-user] Using Slater functions   reinh at lct.jussieu.fr
  • [molpro-user] Using Slater functions   Peter Knowles
• [molpro-user] 2006.1 compilation, main_cvb.f, iunset   Mikael Johansson
  • [molpro-user] 2006.1 compilation, main_cvb.f, iunset   Nick Wilson
    • [molpro-user] 2006.1 compilation, main_cvb.f, iunset   Mikael Johansson
• [molpro-user] how to do reaction path following calculation from non-TS point   MHT
  • [molpro-user] how to do reaction path following calculation from non-TS point   MHT
• [molpro-user] what is the input string for the Dunning-Hay SVP basis?   Dr. Seth Olsen
• [molpro-user] failure to understand GAUSSIAN option to OPTG   Dr. Seth Olsen
• [molpro-user] Problem to use OPT keyword   Utpal Sarkar
  • [molpro-user] Problem to use OPT keyword   Nick Wilson
• [molpro-user] Re: manual for Seiko Seiki turbo molecular pump STP-400   H. -J. Werner
• [molpro-user] H12 matrix elements   Qadir Timerghazin
• [molpro-user] MOLPRO 2006.1 test failed for hcn_opttssl   Shenggang Li
  • [molpro-user] MOLPRO 2006.1 test failed for hcn_opttssl   Nick Wilson
    • [molpro-user] MOLPRO 2006.1 on IBM P690   Jyh-Shyong Ho
      • [molpro-user] MOLPRO 2006.1 on IBM P690   Mikael Johansson
      • [molpro-user] MOLPRO 2006.1 on IBM P690   Mikael Johansson
      • ***SPAM Mail by Nopam*** Re: [molpro-user] MOLPRO 2006.1 on IBM P690   Jyh-Shyong Ho
• [molpro-user] Molpro 2006.1 compilation fails on Mac OS X PPC   Jacek Klos
  • [molpro-user] Molpro 2006.1 compilation fails on Mac OS X PPC   Nick Wilson
    • [molpro-user] Molpro 2006.1 compilation fails on Mac OS X PPC   jacek klos
    • [molpro-user] Molpro 2006.1 compilation fails on Mac OS X PPC   jacek klos
• [molpro-user] install on a opteron InfiniBand/Voltaire cluster   Gert von Helden
  • [molpro-user] install on a opteron InfiniBand/Voltaire cluster   Reuti
  • [molpro-user] why diffuse functions are such efficient   MHT
    • [molpro-user] why diffuse functions are such efficient   Kirk Peterson
      • [molpro-user] why diffuse functions are such efficient   MHT
• [molpro-user] Saving the output file   Utpal Sarkar
• [molpro-user] Scratch file complaints on AIX, Solaris   Mikael Johansson
  • [molpro-user] Scratch file complaints on AIX, Solaris   jacek klos
    • [molpro-user] Scratch file complaints on AIX, Solaris   Nick Wilson
• [molpro-user] memory allocation in mrcc   Kirk Peterson
• [molpro-user] about dissociation energy of BrCl and CrCu   Wang Mingwei
• [molpro-user] request for knowing the symmetry number to be given for a radical   ashutosh gupta
• [molpro-user] Rearranging Orbitals   Brian Vest
  • [molpro-user] Rearranging Orbitals   Kirk Peterson
• [molpro-user] molpro on strike   Holger Naundorf
  • [molpro-user] molpro on strike   Holger Naundorf
• [molpro-user] pl help   ashutosh gupta
• [molpro-user] defining basis set   William Chua
  • [molpro-user] defining basis set   H. -J. Werner
    • [molpro-user] defining basis set   William Chua
• [molpro-user] cannot compile 2006.1 using ifort 9.0 on amd64   Benj FitzPatrick
• [molpro-user] ifort 9.0, MOLPRO 2006.1, and amd64 compilation errors   Benj FitzPatrick
  • [molpro-user] ifort 9.0, MOLPRO 2006.1, and amd64 compilation errors   Nick Wilson
• [molpro-user] density matrix   William Chua
• [molpro-user] compiling molpro with mpi support   Martin Weise
  • [molpro-user] compiling molpro with mpi support   Nick Wilson
• [molpro-user] WFN files   Gerber Iann

Last message date: Fri Jun 30 13:44:42 BST 2006
Archived on: Fri Apr 4 12:08:35 BST 2014

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