March 2012 Archives by subject

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Starting: Thu Mar 1 09:57:39 GMT 2012
Ending: Thu Mar 29 03:01:18 BST 2012
Messages: 27

• [molpro-user] "embarrassingly parallel" ccsd geometry optimization   Andy May
• [molpro-user] a basis set appropriate for iodine containing system   Berkay Sütay
• [molpro-user] a basis set appropriate for iodine containing system   Grant Hill
• [molpro-user] About the VMP2 and VCI calculation   Michael Neff
• [molpro-user] About the VMP2 problem   Yuchen Zhang
• [molpro-user] Ambiguity in labelling of matrix elements in MCSCF   Lorenzo Lodi
• [molpro-user] Density in the cube file   Rene Spada
• [molpro-user] Difference in optg and optg+freq outputs   Marco Verdicchio
• [molpro-user] Geometry inconsitency   Aris Mitropoulos
• [molpro-user] midbond functions and F12 methods   LUTZ J.
• [molpro-user] midbond functions and F12 methods   Grant Hill
• [molpro-user] MOLPRO 2010.1 tests   Andy May
• [molpro-user] Molpro 2010 installation problem   Andy May
• [molpro-user] Mrci with reduced space following casscf   Michael Nix
• [molpro-user] Mrci with reduced space following casscf   Wanyi Jiang
• [molpro-user] Problem building a PES of a collision of a proton with a diatomic molecule when angle is different than 0⁰   Muammar El Khatib
• [molpro-user] Problem with geometry   lilianna bryjko
• [molpro-user] Problem with geometry   Peter Knowles
• [molpro-user] problem with the iodine containing system   Berkay Sütay
• [molpro-user] problem with the iodine containing system   Kirk Peterson
• [molpro-user] problem with the iodine containing system   ozan k
• [molpro-user] trans in ci   Masaru Fukushima
• [molpro-user] unexpected imaginary frequency   Charles E Cotton
• [molpro-user] unexpected imaginary frequency   Venkatesan S. Thimmakondu
• [molpro-user] VMP2 Calculation   Saleh Alarfaji
• [molpro-user] VMP2 Calculation   Michael Neff
• [molpro-user] VSCF,VCI problems   john Bob

Last message date: Thu Mar 29 03:01:18 BST 2012
Archived on: Fri Apr 4 12:08:46 BST 2014

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