March 2005 Archives by subject

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Starting: Thu Mar 3 01:15:14 GMT 2005
Ending: Tue Mar 29 14:29:36 BST 2005
Messages: 44

• [molpro-user] active orbitals   liuxj at iccas.ac.cn
• [molpro-user] b3lyp as implemened in Gaussian   Wheeler, Dr M.D.
• [molpro-user] BSSE Problems   Ioannis Kerkines
• [molpro-user] BSSE Problems (fwd)   Ioannis Kerkines
• [molpro-user] CASSCF/MRCI wavefunctions for excited states   Bryan Matthew Wong
• [molpro-user] CASSCF/MRCI wavefunctions for excited states   Peter Knowles
• [molpro-user] Compiling on Altix Itanium 2   Joseph Lane
• [molpro-user] Compiling on Altix Itanium 2   Stephan Schenk
• [molpro-user] Dump to Molden files   Thierry Leininger
• [molpro-user] Dump to Molden files   Peter Knowles
• [molpro-user] GA Error: Fehler?   Dr Seth OLSEN
• [molpro-user] I am very sorry for the mail error!Best wishes!(Empty inside!)   Wang Mingwei
• [molpro-user] Installation on Sun Sparc w/ Solaris 9, Sun Studio v.8   Dr Seth OLSEN
• [molpro-user] Installation on Sun Sparc w/ Solaris 9, Sun Studio v.8   Nick Wilson
• [molpro-user] Installation on Sun Sparc w/ Solaris 9, Sun Studio v.8   Dr Seth OLSEN
• [molpro-user] Installation on Sun Sparc w/ Solaris 9, Sun Studio v.8   Nick Wilson
• [molpro-user] Link Error Altix Itanium2 Compliation   Joseph Lane
• [molpro-user] Link Error Altix Itanium2 Compliation   Nick Wilson
• [molpro-user] link error IBM AIX 5.2 / MPI   Jean-Pierre Dognon
• [molpro-user] link error IBM AIX 5.2 / MPI   Nick Wilson
• [molpro-user] link error IBM AIX 5.2 / MPI   Jean-Pierre Dognon
• [molpro-user] link error IBM AIX 5.2 / MPI   Nick Wilson
• [molpro-user] matrix operations   AST
• [molpro-user] MCSCF and save,ref= card   Peter REINHARDT
• [molpro-user] merge error   liuxj at iccas.ac.cn
• [molpro-user] molecular orbitals composing coefficents   Wang Mingwei
• [molpro-user] molpro with gm-2.0.14   Kirk Peterson
• [molpro-user] molpro with gm-2.0.14   Tatiana Korona
• [molpro-user] mpiexec instead of mpirun   Scott Yockel
• [molpro-user] MRCI closed shell orbitals - input vs. output   Dr Seth OLSEN
• [molpro-user] mxma cache and blocking size in Molpro environment   Dr Seth OLSEN
• [molpro-user] orbital coefficients!   Wang Mingwei
• [molpro-user] orbital coefficients!   Wang Mingwei
• [molpro-user] orbital coefficients!   Wang Mingwei
• [molpro-user] orbital coefficients!   Wang Mingwei
• [molpro-user] performance on Sun ultraSparc, solaris 9   Dr Seth OLSEN
• [molpro-user] performance on Sun ultraSparc, solaris 9   Dr Seth OLSEN
• [molpro-user] Re: ... i/o bottleneck?   Sigismondo Boschi
• [molpro-user] Re: matrix operations   AST
• [molpro-user] Re: matrix operations   Peter Knowles
• [molpro-user] Re: performance on Sun ultraSparc, solaris 9: disk i/o bottleneck?   Dr Seth OLSEN
• [molpro-user] Segmented basis!   Wang Mingwei
• [molpro-user] symmetry irreducible representation!   Wang Mingwei
• [molpro-user] symmetry irreducible representation!   Peter Knowles

Last message date: Tue Mar 29 14:29:36 BST 2005
Archived on: Mon Aug 25 18:42:35 BST 2008

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