September 2003 Archives by subject

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Starting: Thu Sep 4 05:58:38 BST 2003
Ending: Tue Sep 30 23:35:04 BST 2003
Messages: 33

• "Unreasonable Norm" problem with UCCSD.   Shai Ronen
• Additional basis function on the ghost atom   Daniel Svozil
• Additional basis function on the ghost atom   Tatiana Korona
• casscf/MRCI geometry optimization   Ed Lee
• Conical Intersections   Jim Kress
• direct CI   Jan Franz
• Freezing atoms in cartesian coordinates?   Rodolfo Briones Jerez
• Geometry error problem   Jingjing Zheng
• Information from binary files 1 and 2 in ASCII format   Miroslav Kohout
• Information from binary files 1 and 2 in ASCII format   H. -J. Werner
• itanium crash with large molpro jobs   Ed Lee
• LMP2 geometry optimization?   Rodolfo Briones Jerez
• MCSCF geometry optimization   Shai Ronen
• Molpro on opteron   Wheeler, Dr M.D.
• Molpro on opteron   Matt Hodges
• Molpro on opteron   Alex Brown
• Molpro on opteron   Nick Wilson
• Multiple copies of list postings   MOLPRO
• Multiple processes per node on a cluster   MOLPRO
• No subject   Clima
• Parallel molprop_2002_6 from binaries does not work   MOLPRO
• Parallel molprop_2002_6 from binaries does not work   Nick Wilson
• Printing reference weight in RS2 calculations   Valerie Vallet
• problem generating output files   Suzanne
• problem with alaska gradients   rborrelli at unisa.it
• RHF Oribtals Order bug?   Shai Ronen
• Solved - Additional basis function   Daniel Svozil
• Spin-Orbit Bug?   The Matt
• TRYING TO READ BEYOND RECORD BOUNDARY   Fabio Mariotti
• TRYING TO READ BEYOND RECORD BOUNDARY   Matt Hodges
• UCCSD(T) issue   anthony.scott at anu.edu.au
• unpacking molpro somewhere other than /root?   Suzanne
• unpacking molpro somewhere other than /root?   Suzanne

Last message date: Tue Sep 30 23:35:04 BST 2003
Archived on: Fri Apr 4 12:08:31 BST 2014

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