November 2004 Archives by thread

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Starting: Mon Nov 1 07:33:57 GMT 2004
Ending: Fri Nov 26 08:43:18 GMT 2004
Messages: 44

• [molpro-user] representation of d/f functions   Chris Evenhuis
• [molpro-user] ECP basis set input for SO calculation   Peng Zou
  • [molpro-user] ECP basis set input for SO calculation   Kirk Peterson
    • [molpro-user] frequencies at the uccsd level   Kadir Diri
• [molpro-user] frequencies at the uccsd level   Li, Jun
• [molpro-user] problem during 'make' on p4   Dr Seth Carlton OLSEN
  • [molpro-user] problem during 'make' on p4   Stephan Schenk
• [molpro-user] Reaction path following with approximate or no hessians   Dr Seth Carlton OLSEN
• [molpro-user] HF/6-31G(d) energy is higher than GAUSSIAN03 energy   KOTA DAIGOKU
• [molpro-user] problems with reading RYSRW   Dr Seth OLSEN
• [molpro-user] UCCSD(T): MOLPRO vs. Gaussian   Gershom Martin (Jan M.L.)
  • [molpro-user] UCCSD(T): MOLPRO vs. Gaussian   H. -J. Werner
• [molpro-user] MCSCF orbital energies?   Nathan DeYonker
• (fwd) [molpro-user] MCSCF orbital energies?   H. -J. Werner
• [molpro-user] Test job h2o_select hanging dual-Xeon Fedora2 node   Dr Seth OLSEN
• [molpro-user] Make error on AIX 5.2L   Reuti
  • [molpro-user] Make error on AIX 5.2L   Nick Wilson
    • [molpro-user] Make error on AIX 5.2L   Reuti
• [molpro-user] Parallel Molpro sometimes not working on Opteron   Reuti
• [molpro-user] Test error on AIX 5.2L for parallel runs   Reuti
  • [molpro-user] Test error on AIX 5.2L for parallel runs   Sigismondo Boschi
    • [molpro-user] Test error on AIX 5.2L for parallel runs   Reuti
• [molpro-user] Problem with ZnCl2   Muller, Richard
  • [molpro-user] Problem with ZnCl2   H. -J. Werner
• [molpro-user] Problem with ZnCl2   Muller, Richard
• [molpro-user] Sign of Non-Adiabatic Coupling Matrix Elements (NACME)   T J Dhilip Kumar
• [molpro-user] DDR in Geometry Loop   Matt Thompson
• [molpro-user] Node hanging on h2o_select test job continued   Dr Seth OLSEN
• [molpro-user] more on h2o_select test   Dr Seth OLSEN
• [molpro-user] Parallel calculation of SA-MCSCF gradient   Takao Kobayashi
• [molpro-user] changing compilers to build MolPro   Dr Seth OLSEN
  • [molpro-user] changing compilers to build MolPro   Stephan Schenk
• [molpro-user] problems with running test set   Dr Seth OLSEN
• [molpro-user] test job hangs on FC2 Xeon Node   Dr Seth OLSEN
  • [molpro-user] test job hangs on FC2 Xeon Node   Nick Wilson
• [molpro-user] Restarting Geometry Optimizations   Dr Seth OLSEN
• [molpro-user] Building molpro2002.6 parallel executable. Need help!   Vadim V. Kislov
  • [molpro-user] Building molpro2002.6 parallel executable. Need help!   Reuti
    • [molpro-user] Building molpro2002.6 parallel executable. Need help!   Matt Thompson
• [molpro-user]   Vadim V. Kislov
• [molpro-user] Parallel Molpro sometimes not working on Opteron   Reuti
• [molpro-user] Can Molpro print test to a specified external file?   Dr Seth OLSEN
• [molpro-user] exiting from Do loops without leaving MolPro   Dr Seth OLSEN
  • [molpro-user] exiting from Do loops without leaving MolPro   Dr Fred Manby

Last message date: Fri Nov 26 08:43:18 GMT 2004
Archived on: Mon Aug 25 18:42:35 BST 2008

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