December 2005 Archives by author

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Starting: Thu Dec 1 19:14:42 GMT 2005
Ending: Thu Dec 29 13:20:26 GMT 2005
Messages: 19

• [molpro-user] fail to run parallel jobs thru PBS   ST Wong (ITSC)
• [molpro-user] fail to run parallel jobs thru PBS   ST Wong (ITSC)
• [molpro-user] MRCI scaling   M Addicoat
• [molpro-user] mrci microiterations   M Addicoat
• [molpro-user] Getting mp2 dipole information into a pun file   Bastiaan J. Braams
• [molpro-user] 2002.10 + amd64 + pathscale 2.3/2.2.1 can't find lib/bas2index   Benj FitzPatrick
• [molpro-user] how to read a geometry from file 2?   Gert von Helden
• [molpro-user] Molpro2002.6 installation problem on Opteron   Jyh-Shyong Ho
• [molpro-user] Compiling on Opteron/Linux 2.4/pgf90 6.0-4/64-bit   Mikael Johansson
• [molpro-user] MP2 on open-shell systems?   Peter Knowles
• [molpro-user] MRCI failure   Constantine Koukounas
• [molpro-user] Getting mp2 dipole information into a pun file   Fred Manby
• [molpro-user] CASSCF geometry problem in optimization   Nicholas Marshall
• [molpro-user] fail to run parallel jobs thru PBS   Kirk Peterson
• [molpro-user] Molpro2002.6 installation problem on Opteron   Nick Wilson
• [molpro-user] MP2 on open-shell systems?   ghoffman
• [molpro-user] difference gradients for SA-MCSCF   liuxj at iccas.ac.cn
• [molpro-user] non-adiabatic coupling matrix elements and difference gradients for sa-mcscf   liuxj at iccas.ac.cn
• [molpro-user] MRCI: MORE STATES THAN REFERENCE CONFIGURATIONS   wielgus at mml.ch.pwr.wroc.pl

Last message date: Thu Dec 29 13:20:26 GMT 2005
Archived on: Mon Aug 25 18:42:36 BST 2008

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