July 2007 Archives by thread

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

Starting: Mon Jul 2 06:10:41 BST 2007
Ending: Tue Jul 31 14:00:27 BST 2007
Messages: 36

• [molpro-user] VSCF calculation   Min Seung Kyu
  • [molpro-user] VSCF calculation   Min Seung Kyu
• [molpro-user] CASSCF gradients with RS2   Alex Brown
• [molpro-user] Fwd: UMP2   Javier Carrasco
  • [molpro-user] Fwd: UMP2   Grant Hill
  • [molpro-user] Fwd: UMP2   Terry Frankcombe
• [molpro-user] Fwd: molpro questions   Grant Hill
  • [molpro-user] Fwd: molpro questions   Peter Knowles
• [molpro-user] strange CCSD(T) results -- possible answer   hinde at ion.chem.utk.edu
• [molpro-user] Molpro2006.1 with MKL   Jyh-Shyong
  • [molpro-user] Molpro2006.1 with MKL   Jyh-Shyong
• [molpro-user] Linking error when installing molpro on P4 using IFC   Yuxin Zhuang
  • [molpro-user] Linking error when installing molpro on P4 using IFC   Alexander Mitrushchenkov
  • [molpro-user] Linking error when installing molpro on P4 using IFC   Yuxin Zhuang
    • [molpro-user] Linking error when installing molpro on P4 using IFC   Alexander Mitrushchenkov
• [molpro-user] 答复: [molpro-user] Linking error when installing molpro on P4 using IFC   Yuxin Zhuang
• [molpro-user] re Restarting Frequencies calculation.   Luke Hartley Thomas
  • [molpro-user] Re: re Restarting Frequencies calculation.   Luke Hartley Thomas
• [molpro-user] problem with matrop   Glen Jenness
  • [molpro-user] problem with matrop   Glen Jenness
• [molpro-user] Molpro 2006.1 runtime error   Jyh-Shyong Ho
• [molpro-user] MCSCF Convergence and orbital saving.   Alexander Mitrushchenkov
• [molpro-user] energy gradients   Alexander Mitrushchenkov
• [molpro-user] problems with contraction in RS2c   ramon at buzon.uaem.mx
  • [molpro-user] problems with contraction in RS2c   H.-J. Werner
    • [molpro-user] problems with contraction in RS2c   ramon at buzon.uaem.mx
• [molpro-user] Convergence problems for an already GAUSSIAN optimized geometry   sachin joshi
• [molpro-user] MPI compile error   Joseph Lane
• [molpro-user] Passing variables to INCLUDE cards   Brian Prascher
• [molpro-user] CONFIG file for SGI-altix (Itanium-2)   DiLabio, Gino
• [molpro-user] Saving Derivative Coupling Problem   Hartree
• [molpro-user] MPPX: embarrassingly parallel computation of numerical gradients and Hessians   Claudio Redaelli
• [molpro-user] molpro using more than 100% CPU with em64t   Joseph Lane
• [molpro-user] "Correct" orbital domains for DF-LMP2 torsion scan   Gregersen, Brent
• [molpro-user] BSSE error not reproducible   Jeremy Merritt
• [molpro-user] HF for low in SPIN states   Spas Stoychev

Last message date: Tue Jul 31 14:00:27 BST 2007
Archived on: Fri Apr 4 12:08:37 BST 2014

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