January 2005 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]

Starting: Mon Jan 3 15:57:19 GMT 2005
Ending: Sat Jan 29 09:14:50 GMT 2005
Messages: 24

• [molpro-user] RHF collapsed due to scfocc patch?   Tsuneo Hirano
  • [molpro-user] RHF collapsed due to scfocc patch?   H. -J. Werner
• [molpro-user] About default procedure   Liu X
  • [molpro-user] About default procedure   Haitao Ma
  • [molpro-user] how to freq open-shell   Haitao Ma
• [molpro-user] Gradient Information in Variables   Eric Brown
  • [molpro-user] Gradient Information in Variables   Peter Knowles
• [molpro-user] link fails for molpro2002.6 on sun   Garold Murdachaew
  • [molpro-user] link fails for molpro2002.6 on sun   Nick Wilson
• [molpro-user] Some errors when using ecp basis sets for iodine atom.   Wang Bingwu
  • [molpro-user] Some errors when using ecp basis sets for iodine atom.   Kirk Peterson
• [molpro-user] RCCSD/UCCSD restart   Sergey Varganov
• [molpro-user] alaska gradient   Liu X
  • [molpro-user] alaska gradient   H. -J. Werner
    • [molpro-user] alaska gradient   Haitao Ma
    • [molpro-user] is it right with wf card?   Haitao Ma
• [molpro-user] InfiniBand vs. Myrinet   Scott Yockel
• [molpro-user] Unconverged CI in RS2C - increase iterations?   Dr Seth OLSEN
• [molpro-user] Time limits for molpro?   Dr Seth OLSEN
• [molpro-user] conical intersection optimization   Liu X
• [molpro-user] Problems with restarting geometry optimizations   Christof Woell
• [molpro-user] ADD and SCALE for numerical gradients   Kelly Higgins
• [molpro-user] About readpun   Liu X
• [molpro-user] problem with correlation basis sets   mylorien at list.ru

Last message date: Sat Jan 29 09:14:50 GMT 2005
Archived on: Fri Apr 4 12:08:32 BST 2014

• Messages sorted by: [ subject ] [ author ] [ date ]