June 2004 Archives by thread

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Starting: Tue Jun 1 06:38:26 BST 2004
Ending: Wed Jun 30 18:10:42 BST 2004
Messages: 25

• [molpro-user] Molpro on aix 5.2   Kadir Diri
  • [molpro-user] Molpro on aix 5.2   Matt Hodges
• [molpro-user] about state-averaged calculation   Wang Mingwei
• [molpro-user] about optimization calculation   Wang Mingwei
• [molpro-user] problems of xen2 single point energy calculation in molpro 2002.6   qing
• [molpro-user] problems of xen2 single point energy calculation in molpro 2002.6   qing
• [molpro-user] also about optg calculation   Wang Mingwei
• [molpro-user] also about optg calculation   Wang Mingwei
• [molpro-user] Parse file error on Itanium   Aristotle Papakondylis
• [molpro-user] Re: Parse file error on Itanium   Jacek Klos
• [molpro-user] FCI excited states   Allan East
• [molpro-user] MRCI calc.--weird error   Yann Tambouret
• [molpro-user] CI vector: the role of the observer (?)   Tim Robinson
• [molpro-user] confused about nstati   Wang Mingwei
  • [molpro-user] confused about nstati   H. -J. Werner
• (fwd) [molpro-user] CI vector: the role of the observer (?)   H. -J. Werner
• [molpro-user] FCI excited states   Peter Knowles
• [molpro-user] Mulliken population analysis   Borys Szefczyk
  • [molpro-user] Mulliken population analysis   Matt Hodges
    • [molpro-user] Mulliken population analysis, again   Borys Szefczyk
• [molpro-user] CASSCF Orbital Exchanging   Patton Fast
• [molpro-user] CASSCF Orbital Exchanging   Li, Jun
• [molpro-user] matrop orbitals   Claudine GUTLE
• [molpro-user] Increment change for numerical hessian calculation   Takao Kobayashi
• [molpro-user] NACME; gradient method   Yann Tambouret

Last message date: Wed Jun 30 18:10:42 BST 2004
Archived on: Mon Aug 25 18:42:34 BST 2008

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