July 2009 Archives by author

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Starting: Wed Jul 1 09:56:44 BST 2009
Ending: Fri Jul 31 23:31:10 BST 2009
Messages: 46

• [molpro-user] LocalCC2   Attila Bende
• [molpro-user] Orbital merging   Cristopher Camacho
• [molpro-user] strange error   Pedro Jorge Caridade
• [molpro-user] SP calculations error   Wafaa Fawzy
• [molpro-user] frequency calc crashes at start of hessian   Benj FitzPatrick
• [molpro-user] CASSCF fails to converge   Terry Frankcombe
• [molpro-user] Trouble computing nonadiabatic couplings with DDR   Terry Frankcombe
• [molpro-user] non-adiabatic coupling matrix - diagonal elements   Jan Franz
• [molpro-user] Question about density matrices and Slater-type functions   Mark Hutchison
• [molpro-user] "gmainv1 failure" error   Chiorescu Ion
• [molpro-user] CCSD(T) RHF not converging   Gerald Knizia
• [molpro-user] CCSD(T) RHF not converging   Gerald Knizia
• [molpro-user] problem of parallel MCSCF calculation   Peter Knowles
• [molpro-user] Question about density matrices and Slater-type functions   Tatiana Korona
• [molpro-user] error writing in CCSD   Andy May
• [molpro-user] Reg: In sufficient memory error   Ganga Periyasamy
• [molpro-user] error in MRCI calculation   Kirk Peterson
• [molpro-user] Molpro CCSD(T) convergence problem   Kirk Peterson
• [molpro-user] Reg: In sufficient memory error   Kirk Peterson
• [molpro-user] SP calculations error   Kirk Peterson
• [molpro-user] CCSD(T) RHF not converging   Kirk Peterson
• [molpro-user] CCSD(T) RHF not converging   Kirk Peterson
• [molpro-user] non-adiabatic coupling matrix - diagonal elements   Kirk Peterson
• [molpro-user] error in MRCI calculation   Luis Poveda
• [molpro-user] CCSD(T) RHF not converging   Jörg Saßmannshausen
• [molpro-user] CCSD(T) RHF not converging   Jörg Saßmannshausen
• [molpro-user] CCSD(T) RHF not converging   Jörg Saßmannshausen
• [molpro-user] CCSD(T) RHF not converging   Jörg Saßmannshausen
• [molpro-user] CCSD(T) RHF not converging   Jörg Saßmannshausen
• [molpro-user] CCSD(T) RHF not converging   Jörg Saßmannshausen
• [molpro-user] non-adiabatic coupling matrix - diagonal elements   David W. Schwenke
• [molpro-user] Trouble computing nonadiabatic couplings with DDR   Robert Send
• [molpro-user] Inconsistent memory?   Manhui Wang
• [molpro-user] Inconsistent memory?   Manhui Wang
• [molpro-user] "gmainv1 failure" error   Manhui Wang
• [molpro-user] CASSCF fails to converge   Hans-Joachim Werner
• [molpro-user] error writing in CCSD   ERSIN YURTSEVER
• [molpro-user] problem of parallel MCSCF calculation   Jingjing Zheng
• [molpro-user] error in MRCI calculation   jacek klos
• [molpro-user] non-adiabatic coupling matrix - diagonal elements   jacek klos
• [molpro-user] MolproView on Mac OSX   jacek klos
• [molpro-user] Mrci reg   Rajagopala Reddy seelam
• [molpro-user] Molpro CCSD(T) convergence problem   manti027 at umn.edu
• [molpro-user] Inconsistent memory?   zhendong zhao
• [molpro-user] Inconsistent memory?   zhendong zhao
• [molpro-user] MCSCF and IRC   zhendong zhao

Last message date: Fri Jul 31 23:31:10 BST 2009
Archived on: Fri Apr 4 12:08:40 BST 2014

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