January 2010 Archives by author

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Starting: Fri Jan 1 09:12:55 GMT 2010
Ending: Sun Jan 31 14:47:28 GMT 2010
Messages: 53

• [molpro-user] running benchmarks...   Stefan Becuwe
• [molpro-user] extraction of ccsd singlet&triplet pair energies   Jason Byrd
• [molpro-user] {SPAM}? open shell SCF discrepancy with GAUSSIAN09   Jason Byrd
• [molpro-user] {SPAM}? open shell SCF discrepancy with GAUSSIAN09   Jason Byrd
• [molpro-user] problems when using the trial version   Dimitri Cavalcanti
• [molpro-user] convergence problems with RHF   Dimitri Cavalcanti
• [molpro-user] Convergence Problems   Dimitri Cavalcanti
• [molpro-user] convergence problems with RHF   Lee E.P.F.
• [molpro-user] molpro installation problem   Jussi Eloranta
• [molpro-user] optg/irc problem   Jussi Eloranta
• [molpro-user] molpro installation problem   Jussi Eloranta
• [molpro-user] GPU Support.   Louis-Frédéric Feuillette
• [molpro-user] UCCSD(T)-F12 warning: poor overlap with frozen basis set   Benj FitzPatrick
• [molpro-user] Li+ MP2 problem   AYORINDE HASSAN
• [molpro-user] Li+ MP2 problem   Grant Hill
• [molpro-user] convergence problems with RHF   Grant Hill
• [molpro-user] About non-HF orbitals used in CCSD(T) calculation   Chen Hui
• [molpro-user] conical optimisation question   Jayashree
• [molpro-user] Energy calculation with and without symmetry   Jayashree
• [molpro-user] NEVPT2 problem with record file   Wanyi Jiang
• [molpro-user] NEVPT2 problem with record file   Wanyi Jiang
• [molpro-user] extraction of ccsd singlet&triplet pair energies   Gerald Knizia
• [molpro-user] About non-HF orbitals used in CCSD(T) calculation   Gerald Knizia
• [molpro-user] {SPAM}? open shell SCF discrepancy with GAUSSIAN09   Gerald Knizia
• [molpro-user] getting state average MO in a multi computation   Peter Knowles
• [molpro-user] {SPAM}? EXCESSIVE GRADIENT IN CI   Pradeep Kumar
• [molpro-user] getting the state average MO in a multi computation   Jacky LIEVIN
• [molpro-user] Excessive gradient in CI error   Ulises Miranda
• [molpro-user] Weights in ECP with SO - coupling   Łukasz Miądowicz
• [molpro-user] {SPAM}? open shell SCF discrepancy with GAUSSIAN09   Kirk Peterson
• [molpro-user] problem with conical intersection optimization   Luis Poveda
• [molpro-user] SAPT implementation with ECP   Neeraj Rai
• [molpro-user] SAPT implementation with ECP   Neeraj Rai
• [molpro-user] File I/O on molpro2008 parallel version   Neeraj Rai
• [molpro-user] File I/O on molpro2008 parallel version   Neeraj Rai
• [molpro-user] problems when using the trial version   Neeraj Rai
• [molpro-user] Compile time limits   Unknown
• [molpro-user] DOMONLY in a DF-local-mp2 optimization   Carlos Manuel Estévez Valcárcel
• [molpro-user] Can I compile molpro2009.1 parallel version without GA?   Manhui Wang
• [molpro-user] molpro installation problem   Manhui Wang
• [molpro-user] File I/O on molpro2008 parallel version   Manhui Wang
• [molpro-user] running benchmarks...   Manhui Wang
• [molpro-user] MOLPRO GPU Support.   Hans-Joachim Werner
• [molpro-user] Excessive gradient in CI error   Hans-Joachim Werner
• [molpro-user] Li+ MP2 problem   Tim Wright
• [molpro-user] Molpro-user Digest, Vol 18, Issue 25   Yang, Shengfu F. (Dr.)
• [molpro-user] What is the definition of electric field gradient in molpro 2009?   cong.wang
• [molpro-user] What does " SOCFPD: MBLU TOO SMALL*******" mean and how to solve this problem?   cong.wang
• [molpro-user] {SPAM}? A question about the parallelization of SAPT in molpro 2009   cong.wang
• [molpro-user] Excessive gradient in CI error   arimet at eie.gr
• [molpro-user] NACME   lijun830416
• [molpro-user] one electron and two electron integrals   吕双江
• [molpro-user] one electron and two electron integrals   吕双江

Last message date: Sun Jan 31 14:47:28 GMT 2010
Archived on: Fri Apr 4 12:08:42 BST 2014

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