October 2011 Archives by subject

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

Starting: Tue Oct 4 11:27:08 BST 2011
Ending: Mon Oct 31 17:54:13 GMT 2011
Messages: 39

• [molpro-user] About spin-orbital coupling calculation   Hongyan Xiao
• [molpro-user] About spin-orbital coupling calculation   Alexander Mitrushchenkov
• [molpro-user] About spin-orbital coupling calculation   Zork Zou
• [molpro-user] About spin-orbital coupling calculation   Hongyan Xiao
• [molpro-user] About spin-orbital coupling calculation   Hongyan Xiao
• [molpro-user] Asking your help for calculating the transition dipole moment   Rana Zahdeh
• [molpro-user] Asking your help for calculating the transition dipole moment   Ricardo Mata
• [molpro-user] Building molpro with 8 byte integers?   Mark Dixon
• [molpro-user] Building molpro with 8 byte integers?   Manhui Wang
• [molpro-user] Calculating the transition dipole moment   Rana Zahdeh
• [molpro-user] Cosmo model   lilianna bryjko
• [molpro-user] df-rks,b3lyp   Hans-Joachim Werner
• [molpro-user] hardware suggetions for single Molpro workstation   Jonathan Dundas
• [molpro-user] hardware suggetions for single Molpro workstation   Gerald Knizia
• [molpro-user] hardware suggetions for single Molpro workstation   Kirk Peterson
• [molpro-user] hardware suggetions for single Molpro workstation   Jonathan Dundas
• [molpro-user] lmp2 geometry optimisation convergence problem   Falk Richter
• [molpro-user] Magnetic moment direction   lilianna bryjko
• [molpro-user] MCSCF: random orbital re-ordering   Benjamin LASORNE
• [molpro-user] Molpro and GPUs   Taube, Andrew
• [molpro-user] Molpro MP2 Optimization Dies with Memory Allocation Error   Seth Olsen
• [molpro-user] Molpro MP2 Optimization Dies with Memory Allocation Error   Hans-Joachim Werner
• [molpro-user] parallel IO issue? (fwd)   Rika Kobayashi
• [molpro-user] parallel IO issue? (fwd)   Seth Olsen
• [molpro-user] parallel IO issue? (fwd)   Manhui Wang
• [molpro-user] Parallel molpro   Marcela Madrid
• [molpro-user] Parallel molpro   Manhui Wang
• [molpro-user] patch for configure script (fix for MPI detection code)   Mark Dixon
• [molpro-user] patch for configure script (fix for MPI detection code)   Manhui Wang
• [molpro-user] Problems computing properties with CASSCF   Lorenzo Lodi
• [molpro-user] r12-ccsd(t): convergence problem   Ol Ga
• [molpro-user] r12-ccsd(t): convergence problem   Kirk Peterson
• [molpro-user] r12-ccsd(t): convergence problem   Ol Ga
• [molpro-user] RS2 gradient error: WRONG E0 FROM CIGAM0I   Artur Nenov
• [molpro-user] spin-orbit matrix   binjiang.nju
• [molpro-user] spin-orbit matrix   Peter Knowles
• [molpro-user] Tables   Manhui Wang
• [molpro-user] Transition density   lilianna bryjko
• [molpro-user] TS search - restart capability   Ol Ga

Last message date: Mon Oct 31 17:54:13 GMT 2011
Archived on: Fri Apr 4 12:08:46 BST 2014

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