November 2003 Archives by author

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Starting: Mon Nov 3 07:58:30 GMT 2003
Ending: Sun Nov 23 18:22:25 GMT 2003
Messages: 42

• adding basis sets to molpro library   Suzanne Jamesina Belshaw
• Controlling multi within CPMCSCF   Nathan DeYonker
• Saving variables   Nathan DeYonker
• CP-MCSCF bug   Chris Evenhuis
• Setting up pbs for use with molpro   Timothy John Giese
• Molpro error on Apple G5 OS 10.3   Bill Gray
• Molpro error on Apple G5 OS 10.3   Bill Gray
• Molpro error on Apple G5 OS 10.3   Bill Gray
• Molpro error on Apple G5 OS 10.3 - Now Corrected   Bill Gray
• Molpro2002.6 on HP Superdome   Jyh-Shyong Ho
• Molpro2002.6 on HP Superdome   Jyh-Shyong Ho
• 32-bit on Opteron   Matt Hodges
• adding basis sets to molpro library   Matt Hodges
• DFT and ghost basis sets   Matt Hodges
• GAMESS vectors into MOLPRO   Jim Kress
• cube file format is questionable   Jim Kress
• cube file format is questionable   Jim Kress
• Building on Enterprise Linux 3   Gershom Martin (Jan M.L.)
• MXDEL Stop on 1-proc job, not on 2-proc...Bug?   The Matt
• MXDEL Stop on 1-proc job, not on 2-proc...Bug?   The Matt
• Building on Enterprise Linux 3   The Matt
• Building on Enterprise Linux 3   The Matt
• The -G command switch   The Matt
• number of reference configuration   Lin Meirong
• incorrect start and finish for closed-shell SCF iterations in non-library basis set   Garold Murdachaew
• hexadecapole moment (bug?)   Omololu
• Molpro error on Apple G5 OS 10.3   Kirk Peterson
• Molpro error on Apple G5 OS 10.3   Kirk Peterson
• DFT and ghost basis sets   Peter REINHARDT
• basis set input   Suzanne
• Numerical Gradients CCSD(T)   Luke Thomas
• Setting up pbs for use with molpro   Charles Edwin Webster
• MRCI thresholds or contractions   H. -J. Werner
• hexadecapole moment (bug?)   H. -J. Werner
• Numerical Gradients CCSD(T)   H. -J. Werner
• incorrect start and finish for closed-shell SCF iterations in non-library basis set   H. -J. Werner
• Setting up pbs for use with molpro   Wheeler, Dr M.D.
• error message for mpp run of molpro   Wheeler, Dr M.D.
• Molpro2002.6 on HP Superdome   Nick Wilson
• Molpro error on Apple G5 OS 10.3   Nick Wilson
• Building on Enterprise Linux 3   Nick Wilson
• The keyword shift of CASPT2 calculations   wangbw

Last message date: Sun Nov 23 18:22:25 GMT 2003
Archived on: Mon Aug 25 18:42:34 BST 2008

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