August 2010 Archives by subject

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Starting: Mon Aug 2 21:07:13 BST 2010
Ending: Thu Aug 26 09:09:46 BST 2010
Messages: 17

• [molpro-user] CASSCF with frozen core and CASPT2 gradient   Zork Zou
• [molpro-user] CI vector sign convention   Will Glover
• [molpro-user] how to restart an unfinished ci calculation   Elizete Ventura do Monte
• [molpro-user] how to use the configurations from a previous mcscf   Elizete Ventura do Monte
• [molpro-user] IGNORE_ERROR   Luis Poveda
• [molpro-user] IGNORE_ERROR   Kirk Peterson
• [molpro-user] molpro 2009.1 on aix 6.1   Andrew Emerson
• [molpro-user] molpro 2009.1 on aix 6.1   Reuti
• [molpro-user] MPI Molpro 2009.1/2 on MacPro i7   Łukasz Rajchel
• [molpro-user] MPI Molpro 2009.1/2 on MacPro i7   Andy May
• [molpro-user] MPI Molpro 2009.1/2 on MacPro i7   Kirk Peterson
• [molpro-user] MPI Molpro 2009.1/2 on MacPro i7   Łukasz Rajchel
• [molpro-user] parallel molpro   abc def
• [molpro-user] parallel molpro   Andy May
• [molpro-user] SO coupling calculations with one valence electron??   Kirk Peterson
• [molpro-user] SO coupling calculations with one valence electron??   Łukasz Miądowicz
• [molpro-user] system error message: Inappropriate ioctl for device   Manhui Wang

Last message date: Thu Aug 26 09:09:46 BST 2010
Archived on: Thu Aug 26 09:38:11 BST 2010

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