December 2009 Archives by date

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Starting: Thu Dec 3 08:13:57 GMT 2009
Ending: Thu Dec 31 08:05:36 GMT 2009
Messages: 60

• [molpro-user] CPU time limit exceeded   Yang, Shengfu F. (Dr.)
• [molpro-user] CPU time limit exceeded   Fred Manby
• [molpro-user] MRCI problem when running on multiple nodes   aristotle Papakondylis
• [molpro-user] Output type instead of speed of processor   Reuti
• [molpro-user] 0:Segmentation Violation error, status=: 11   G.Bradshaw
• [molpro-user] CCSD-EOM transition moment units?   Jussi Eloranta
• [molpro-user] 0:Segmentation Violation error, status=: 11   Kirk Peterson
• [molpro-user] CCSD-EOM transition moment units?   Tatiana Korona
• [molpro-user] explicit fitting basis problem with -f12 methods   Jason Byrd
• [molpro-user] explicit fitting basis problem with -f12 methods   Hans-Joachim Werner
• [molpro-user] explicit fitting basis problem with -f12 methods   Kirk Peterson
• [molpro-user] A question about second moment in molpro   Cong Wang
• [molpro-user] A question about second moment in molpro   Cong Wang
• [molpro-user] A question about second moment in molpro   Tatiana Korona
• [molpro-user] Compiling molpro2009.1 for AMD   Holger Naundorf
• [molpro-user] Output type instead of speed of processor   Andy May
• [molpro-user] {SPAM}? Fwd: 0:Segmentation Violation error, status=: 11   G.Bradshaw
• [molpro-user] adding new functional   Glen Jenness
• [molpro-user] Compiling molpro2009.1 for AMD   Joseph Lane
• [molpro-user] Compiling molpro2009.1 for AMD   Simon Binnie
• [molpro-user] {SPAM}? Fwd: 0:Segmentation Violation error, status=: 11   Peter Ruprecht
• [molpro-user] Compiling molpro2009.1 for AMD   Andy May
• [molpro-user] Compiling molpro2009.1 for AMD   Andy May
• [molpro-user] {SPAM}? Re: {SPAM}? Fwd: 0:Segmentation Violation error, status=: 11   Alexander Mitrushchenkov
• [molpro-user] {SPAM}? Re: {SPAM}? {SPAM}? Fwd: 0:Segmentation Violation error, status=: 11   Andy May
• [molpro-user] Compiling molpro2009.1 for AMD   Kirk Peterson
• [molpro-user] Regarding excited state optimization in molpro.   TANMOY MONDAL
• [molpro-user] MRCI problem when running on multiple nodes   Andy May
• [molpro-user] {SPAM}? Re: {SPAM}? Re: {SPAM}? {SPAM}? Fwd: 0:Segmentation Violation error, status=: 11   Andy May
• [molpro-user] adding new functional   Andy May
• [molpro-user] DF-DFT-SAPT   mahesh kumar
• [molpro-user] DF-DFT-SAPT   Andreas Hesselmann
• [molpro-user] Compiling molpro2009.1 for AMD   Andy May
• [molpro-user] MP2 correltation energy contributions   Unknown
• [molpro-user] CCSD(T)-F12 calculation with Au-containing species.   Patryk Zaleski-Ejgierd
• [molpro-user] Does the option "mep-" for slapaf work?   Evgeniy Gromov
• [molpro-user] Regarding excited state optimization in molpro.   Tatiana Korona
• [molpro-user] CCSD(T)-F12 calculation with Au-containing species.   Hans-Joachim Werner
• [molpro-user] IRC curve - rs2: optimal startegy to build   eurisco1 at pochta.ru
• [molpro-user] MRCI core excited state   aurora.ponzi at libero.it
• [molpro-user] how to keep the wavefunction the same when the molecular nucleus are changed?   lydia
• [molpro-user] resource advice for running Molpro on a Mac Pro quadcore   David Woon
• [molpro-user] CHANGE to definition of PBE0 in Molpro   Fred Manby
• [molpro-user] How to evaluate the one and two electrons integrals when the nucleus coordinates are changed but electron wavefunction are not changed?   lydia
• [molpro-user] Calculation suddendly stops   Ulises Miranda
• [molpro-user] NBO analysis using QCISD density matrix   cong.wang
• [molpro-user] {SPAM}? Re: NBO analysis using QCISD density matrix   Tatiana Korona
• [molpro-user] The problem occurs in writew   eurisco1 at pochta.ru
• [molpro-user] About non-HF orbitals used in CCSD(T) calculation   Chen Hui
• [molpro-user] Parallel 2009.1 compilation on AIX5.3   Reuti
• [molpro-user] Parallel 2009.1 compilation on AIX5.3   Andy May
• [molpro-user] {SPAM}? MRCI problems   muskatel at fh.huji.ac.il
• [molpro-user] Parallel 2009.1 compilation on AIX5.3   Reuti
• [molpro-user] Can I compile molpro2009.1 parallel version without GA?   He Ping
• [molpro-user] Parallel 2009.1 compilation on AIX5.3   Reuti
• [molpro-user] About non-HF orbitals used in CCSD(T) calculation   Zork Zou
• [molpro-user] How to print square overlap matrix?   Zork Zou
• [molpro-user] getting the state average MO in a multi computation   Francoise Remacle
• [molpro-user] {SPAM}? Diabatization with different symmetries   muskatel at fh.huji.ac.il
• [molpro-user] Zero buffer length in ccdiis during atomic quadrupole polarizability calculation   Cong Wang

Last message date: Thu Dec 31 08:05:36 GMT 2009
Archived on: Fri Apr 4 12:08:41 BST 2014

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