May 2009 Archives by date

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Starting: Fri May 1 05:53:22 BST 2009
Ending: Sun May 31 22:58:12 BST 2009
Messages: 77

• [molpro-user] Mrci reg   Rajagopala Reddy seelam
• [molpro-user] Problem with MATROP   Stephen Harrison
• [molpro-user] {SPAM}? Re: {SPAM}? Re: Catastrophic error: internal compiler error on src/local/geminal.f   Andy May
• [molpro-user] Problem with MATROP   Steven L. Mielke
• [molpro-user] Problem with MATROP   Kirk Peterson
• [molpro-user] FCI one electron properties   Jason Byrd
• [molpro-user] A question about density-fitting in SAPT   cong.wang
• [molpro-user] What is the definition of "Couls-En" and natural orbital energy in molpro?   cong.wang
• [molpro-user] A question about density-fitting in SAPT   Glen Jenness
• [molpro-user] What is the definition of "Couls-En" and natural orbital energy in molpro?   Gerald Knizia
• [molpro-user] A question about density-fitting in SAPT   cong.wang
• [molpro-user] A question about density-fitting in SAPT   cwang at mappi.helsinki.fi
• [molpro-user] {SPAM}? Re: {SPAM}? Re: Catastrophic error: internal compiler error on src/local/geminal.f   Andy May
• [molpro-user] A question about density-fitting in SAPT   Grant Hill
• [molpro-user] A question about density-fitting in SAPT   cwang at mappi.helsinki.fi
• [molpro-user] Excited state calculation with molpro   hal30+ at pitt.edu
• [molpro-user] CCSD-F12 correlation factor   Joseph Lane
• [molpro-user] Fwd: CCSD-F12 correlation factor   Hans-Joachim Werner
• [molpro-user] A question about density-fitting in SAPT   Andreas Hesselmann
• [molpro-user] CCSD-F12 correlation factor   Kirk Peterson
• [molpro-user] CCSD-F12 correlation factor   Gerald Knizia
• [molpro-user] CI convergence   S. Horvath
• [molpro-user] Paralell jobs   Cristina Sanz Sanz
• [molpro-user] A question about density-fitting in SAPT   cong.wang
• [molpro-user] Paralell jobs   Grant Hill
• [molpro-user] CI convergence   jacek klos
• [molpro-user] Too many operator domains during LCCSD calculation   cwang at mappi.helsinki.fi
• [molpro-user] Paralell jobs   Cristina Sanz Sanz
• [molpro-user] Paralell jobs   Manhui Wang
• [molpro-user] Paralell jobs   Cristina Sanz Sanz
• [molpro-user] CCSD(T) job crash   Andrew Mukhanov
• [molpro-user] Paralell jobs   Manhui Wang
• [molpro-user] DF-DFT-SAPT calculation crash, " catastrophic failure in grid_get_neighbour"   cong.wang
• [molpro-user] DF-DFT-SAPT calculation crash, " catastrophic failure in grid_get_neighbour"   Peter Knowles
• [molpro-user] Mulliken pop analysis   S. Horvath
• [molpro-user] about the molpro setup   迷阳
• [molpro-user] Mulliken pop analysis   Kirk Peterson
• [molpro-user] about the molpro setup   Manhui Wang
• [molpro-user] Reg: To print transition density matrix for the MCSCF computations   Ganga Periyasamy
• [molpro-user] A question about HF and CASSCF orbital in molpro   Peter Knowles
• [molpro-user] Molpro installation problem   rsb20 at uakron.edu
• [molpro-user] Molpro installation problem   millard alexander
• [molpro-user] Molpro installation problem   Gershom (Jan) Martin
• [molpro-user] no convergence in dis1   Wafaa M. Fawzy
• [molpro-user] CCSD(T) job crash   Peter Knowles
• [molpro-user] SO calculation crashes at beginning of SEWLS   Benj FitzPatrick
• [molpro-user] Rydbergstates   oliver.potzel at uni-ulm.de
• [molpro-user] SO calculation crashes at beginning of SEWLS   Peter Knowles
• [molpro-user] question about molpro   Peter Knowles
• [molpro-user] question about molpro   Jose Antonio Gamez Martinez
• [molpro-user] problem with z-matrix   rsb20 at uakron.edu
• [molpro-user] problem with z-matrix   Berger Raphael
• [molpro-user] problem with z-matrix   Peter Knowles
• [molpro-user] FCI one electron properties   Peter Knowles
• [molpro-user] Error in CIS   Raffaele Borrelli
• [molpro-user] Spin-Orbit matrix problems   Cristina Sanz Sanz
• [molpro-user] Error in CIS   Tatiana Korona
• [molpro-user] Error in CIS   Raffaele Borrelli
• [molpro-user] DF-HF memory problems   Simon Binnie
• [molpro-user] Error in CIS   Raffaele Borrelli
• [molpro-user] Simple CI with single excitations   Raffaele Borrelli
• [molpro-user] Problem with partial optimization   rsb20 at uakron.edu
• [molpro-user] Quasi-diabatization and wavefuntions   cjrosa at ualg.pt
• [molpro-user] Problem with partial optimization   Benj FitzPatrick
• [molpro-user] M06 Functionals   Joseph Lane
• [molpro-user] Quasi-diabatization and wavefuntions   cjrosa at ualg.pt
• [molpro-user] Problem with optimized output   rsb20 at uakron.edu
• [molpro-user] cannot get rohf to converge with larger basis sets   Benj FitzPatrick
• [molpro-user] WORKAROUND: cannot get rohf to converge with larger basis sets   Benj FitzPatrick
• [molpro-user] Reg: ERROR IN WRITING   Ganga Periyasamy
• [molpro-user] Values of SO transition matrix elements in 2008.1 Molpro   jacek klos
• [molpro-user] FW: Support question   Perry, Jamin W. (MU-Student)
• [molpro-user] CASPT2 Error   Perry, Jamin W. (MU-Student)
• [molpro-user] CASPT2 Error   Kirk Peterson
• [molpro-user] CASPT2 Error   Ricardo Mata
• [molpro-user] Reg: Molpro Users   Ganga Periyasamy
• [molpro-user] Reg: Molpro Users   Grant Hill

Last message date: Sun May 31 22:58:12 BST 2009
Archived on: Fri Apr 4 12:08:40 BST 2014

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