March 2009 Archives by author

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Starting: Sun Mar 1 17:44:09 GMT 2009
Ending: Tue Mar 31 15:30:43 BST 2009
Messages: 73

• [molpro-user] molpro parallel is not workind   Hanen AMOR
• [molpro-user] [idris.fr #2450] Molpro input error (maxiter directive)   Patrick Corde
• [molpro-user] [idris.fr #2450] Molpro input error (maxiter directive)   Patrick Corde
• [molpro-user] UCCSD(T) Scans   Wafaa Fawzy
• [molpro-user] Running molpro2008.1 in parallel doesn't work   Benj FitzPatrick
• [molpro-user] CCSD Electron Density Calculations?   Terry Frankcombe
• [molpro-user] Geometry specification with Cs symmetry   Terry Frankcombe
• [molpro-user] point group reg   Terry Frankcombe
• [molpro-user] Bug in calculation of expactation value of the potential energy operator (POT)   Evgeniy Gromov
• [molpro-user] Bug in calculation of expactation value of the potential energy operator (POT)   Evgeniy Gromov
• [molpro-user] DFT using MolPro2006.2   Grant Hill
• [molpro-user] [idris.fr #2450] Molpro input error (maxiter directive)   Grant Hill
• [molpro-user] point group reg   Grant Hill
• [molpro-user] N2O CCSD(T)/cc-pVDZ calculation disagrees with NWChem   Robert Hinde
• [molpro-user] CCSD Electron Density Calculations?   Mark Hutchison
• [molpro-user] Geometry specification with Cs symmetry   Jayashree
• [molpro-user] Geometry specification with Cs symmetry   Jayashree
• [molpro-user] A question about the dummy atom in SAPT calculation in molpro   Glen Jenness
• [molpro-user] point group reg   Mikael Johansson
• [molpro-user] sjk at anl.gov   Klippenstein, Stephen J.
• [molpro-user] CCSD Electron Density Calculations?   Gerald Knizia
• [molpro-user] CCSD Electron Density Calculations?   Gerald Knizia
• [molpro-user] N2O CCSD(T)/cc-pVDZ calculation disagrees with NWChem   Gerald Knizia
• [molpro-user] Bug in calculation of expactation value of the potential energy operator (POT)   Gerald Knizia
• [molpro-user] problem with scs-mp2 calculation   Gerald Knizia
• [molpro-user] Reg: Help to print the molecular orbitals   Peter Knowles
• [molpro-user] Reg: Help to print the molecular orbitals   Peter Knowles
• [molpro-user] Fwd: Help to print the configuration list   Peter Knowles
• [molpro-user] CCSD Electron Density Calculations?   Tatiana Korona
• [molpro-user] Induced atomic dipole moments don't seem to be right (?)   Tatiana Korona
• [molpro-user] A question about the dummy atom in SAPT calculation in molpro   Tatiana Korona
• [molpro-user] regarding EOM-CCSD calculation   Tatiana Korona
• [molpro-user] Running molpro2008.1 in parallel doesn't work   Vitaliy V. Koval
• [molpro-user] Running molpro2008.1 in parallel doesn't work   Thierry Leininger
• [molpro-user] Running molpro2008.1 in parallel doesn't work   Thierry Leininger
• [molpro-user] regarding EOM-CCSD calculation   TANMOY MONDAL
• [molpro-user] problem with scs-mp2 calculation   Ricardo Mata
• [molpro-user] all 2008.1 builds crash at beginning with a RemoteCreate error   Andy May
• [molpro-user] Fwd: Help to print the configuration list   Ganga Periyasamy
• [molpro-user] Different CASSCF energies for XYZ and Z-matrix inputs   Kirk Peterson
• [molpro-user] N2O CCSD(T)/cc-pVDZ calculation disagrees with NWChem   Kirk Peterson
• [molpro-user] Atom in an electric field: why the error message?   Kirk Peterson
• [molpro-user] spin orbit coupling parameter   Kirk Peterson
• [molpro-user] Question about Memory usage   Kirk Peterson
• [molpro-user] Running molpro2008.1 in parallel doesn't work   Kirk Peterson
• [molpro-user] Question about Memory usage   Kirk Peterson
• [molpro-user] point group reg   Kirk Peterson
• [molpro-user] Hessian   Luis Poveda
• [molpro-user] Atom in an electric field: why the error message?   Phillip Price
• [molpro-user] Induced atomic dipole moments don't seem to be right (?)   Phillip Price
• [molpro-user] Error in conical intersection optimization   Boyke Schönborn
• [molpro-user] Convergence issues in SCF calculations   Sunil
• [molpro-user] Convergence problems with SCF   Sunil
• [molpro-user] DFT using MolPro2006.2   Hongli Tao
• [molpro-user] how to name the user supplied basis   John Travers
• [molpro-user] Question about Memory usage   Ulrich Wedig
• [molpro-user] rs2 excited state geometry optimizations   Hans-Joachim Werner
• [molpro-user] spin orbit coupling parameter   Mivsam Yekutiel
• [molpro-user] spin orbit coupling parameter   Mivsam Yekutiel
• [molpro-user] question about DF-DFT-SAPT basis sets   aditya chhikara
• [molpro-user] problem with scs-mp2 calculation   aditya chhikara
• [molpro-user] A question about the dummy atom in SAPT calculation in molpro   cong.wang
• [molpro-user] A question about HF and CASSCF orbital in molpro   cong.wang
• [molpro-user] installation problems   kevin
• [molpro-user] point group reg   Rajagopala Reddy seelam
• [molpro-user] Question about running test   zhendong zhao
• [molpro-user] Question about running test   zhendong zhao
• [molpro-user] Running molpro2008.1 in parallel doesn't work   zhendong zhao
• [molpro-user] Question about Memory usage   zhendong zhao
• [molpro-user] Question about Memory usage   zhendong zhao
• [molpro-user] Question about Memory usage   zhendong zhao
• [molpro-user] molpro parallel is not workind   zhendong zhao
• [molpro-user] Running molpro2008.1 in parallel doesn't work   zhendong zhao

Last message date: Tue Mar 31 15:30:43 BST 2009
Archived on: Fri Apr 4 12:08:39 BST 2014

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