April 2009 Archives by author

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Starting: Wed Apr 1 10:37:13 BST 2009
Ending: Thu Apr 30 12:47:52 BST 2009
Messages: 92

• [molpro-user] CASPT2 - strange number of active orbitals   Anastassia Alexandrova
• [molpro-user] SA-CASSCF for S1 state - getting wrong opt geometry   Anastassia Alexandrova
• [molpro-user] resptriction on the number of charges in a lattice   Anastassia Alexandrova
• [molpro-user] SINGULARITY IN SCHMIDT ORTHOGONALISER   Anastassia Alexandrova
• [molpro-user] resptriction on the number of charges in a lattice   Anastassia Alexandrova
• [molpro-user] RS2C: Excessive norm in internal space   Anastassia Alexandrova
• [molpro-user] CCSD(T) calculation   Don Aue
• [molpro-user] MRCC with a precompiled binary   Jason Byrd
• [molpro-user] Gaussian and Molpro DFT calculation   Jason Byrd
• [molpro-user] FCI documentation   Jason Byrd
• [molpro-user] Computing higher roots in MRCI   Garnet Chan
• [molpro-user] Symmetry breaking problem   Denis DUFLOT
• [molpro-user] compiling Molpro 2008.1 in a Cray XD1 Machine   "Cesar C. Díaz-Torrejón"
• [molpro-user] question on Cu example in the manual   Jussi Eloranta
• [molpro-user] testing binary version   Shireen Falah
• [molpro-user] no value of LIBMOL set   Benj FitzPatrick
• [molpro-user] workaround: LIBMOL error   Benj FitzPatrick
• [molpro-user] Wave Function Definition   Terry Frankcombe
• [molpro-user] Computing higher roots in MRCI   Terry Frankcombe
• [molpro-user] optimization restart   Zdenek Futera
• [molpro-user] optimization restart   Zdenek Futera
• [molpro-user] optimization restart   Zdeněk Futera
• [molpro-user] Error: !LICENCE! Password missing on licence token   Evgeniy Gromov
• [molpro-user] Error: !LICENCE! Password missing on licence token   Evgeniy Gromov
• [molpro-user] Error: !LICENCE! Password missing on licence token   Evgeniy Gromov
• [molpro-user] MRCI natural orbitals   Stephen Harrison
• [molpro-user] Computing higher roots in MRCI   Bernd Hartke
• [molpro-user] running 2008.1 under torque and MOAB   Paul Hatton
• [molpro-user] Molpro 2008.1: GLOBAL ERROR fehler on processor 0   Huang, Wei
• [molpro-user] Computing higher roots in MRCI   Jaffe, Richard L. (ARC-TSN)
• [molpro-user] numerical result out of range   Glen Jenness
• [molpro-user] Molpro 2008.1 on IBM AIX   Jyh-Shyong
• [molpro-user] CCSD(T) calculation   Gerald Knizia
• [molpro-user] Computing higher roots in MRCI   Gerald Knizia
• [molpro-user] Computing higher roots in MRCI   Gerald Knizia
• [molpro-user] MRCI natural orbitals   Peter Knowles
• [molpro-user] Reference Coefficients from MRCI   Peter Knowles
• [molpro-user] regarding EOM-CCSD calculation   Tatiana Korona
• [molpro-user] (no subject)   Tatiana Korona
• [molpro-user] CCSD(T) calculation   Tatiana Korona
• [molpro-user] Computing higher roots in MRCI   Tatiana Korona
• [molpro-user] How to froze some virtual orbitals in CIS calculation?   Tatiana Korona
• [molpro-user] installation problems   Vitaliy V. Koval
• [molpro-user] Regarding installing additional patch in molpro 2002.6   TANMOY MONDAL
• [molpro-user] (no subject)   TANMOY MONDAL
• [molpro-user] optimization restart   Ricardo Mata
• [molpro-user] resptriction on the number of charges in a lattice   Ricardo Mata
• [molpro-user] resptriction on the number of charges in a lattice   Ricardo Mata
• [molpro-user] NBO and ECPs   Ricardo Mata
• [molpro-user] Molpro 2008.1 on IBM AIX   Andy May
• [molpro-user] Regarding installing additional patch in molpro 2002.6   Andy May
• [molpro-user] testing binary version   Andy May
• [molpro-user] Problem with ./configure   Andy May
• [molpro-user] Molpro 2008.1 on IBM AIX   Andy May
• [molpro-user] running 2008.1 under torque and MOAB   Andy May
• [molpro-user] MRCC with a precompiled binary   Andy May
• [molpro-user] Molpro can not run correctly with mpp binary version   Andy May
• [molpro-user] compiling Molpro 2008.1 in a Cray XD1 Machine   Andy May
• [molpro-user] Error: !LICENCE! Password missing on licence token   Andy May
• [molpro-user] Error: !LICENCE! Password missing on licence token   Andy May
• [molpro-user] {SPAM}? Re: {SPAM}? {SPAM}? 2008.1 on MacPro: Catastrophic error: internal compiler error on src/local/geminal.f   Andy May
• [molpro-user] CCSD(T) calculation   Jeremy Merritt
• [molpro-user] plotting Valence bond (casvb) orbitals and molden   Steven L. Mielke
• [molpro-user] Computing higher roots in MRCI   Alexander Mitrushchenkov
• [molpro-user] Too many operator domains during LCCSD calculation   Alexander Mitrushchenkov
• [molpro-user] Problem with ./configure   Łukasz Miądowicz
• [molpro-user] SA-CASSCF for S1 state - getting wrong opt geometry   Artur Nenov
• [molpro-user] Wave Function Definition   Kirk Peterson
• [molpro-user] Wave Function Definition   Kirk Peterson
• [molpro-user] question on Cu example in the manual   Kirk Peterson
• [molpro-user] Molpro 2008.1: GLOBAL ERROR fehler on processor 0   Kirk Peterson
• [molpro-user] MRCC with a precompiled binary   Kirk Peterson
• [molpro-user] Computing higher roots in MRCI   Kirk Peterson
• [molpro-user] CCSD(T) calculation   Kirk Peterson
• [molpro-user] Reference Coefficients from MRCI   Kirk Peterson
• [molpro-user] Asymptotic   Łukasz Rajchel
• [molpro-user] Reference Coefficients from MRCI   Robert Send
• [molpro-user] Wave Function Definition   Tyler Thompson
• [molpro-user] Canonicalization of ROHF orbitals   Luís Pedro Viegas
• [molpro-user] NBO and ECPs   Tim Wright
• [molpro-user] convergence to wrong state   ERSIN YURTSEVER
• [molpro-user] A Chinese version of MOLPRO 2008.1 manual   Zork Zou
• [molpro-user] Too many operator domains during LCCSD calculation   cong.wang
• [molpro-user] Molpro can not run correctly with mpp binary version   kevin
• [molpro-user] {SPAM}? 2008.1 on MacPro: Catastrophic error: internal compiler error on src/local/geminal.f   jacek klos
• [molpro-user] Catastrophic error: internal compiler error on src/local/geminal.f   jacek klos
• [molpro-user] How to froze some virtual orbitals in CIS calculation?   hal30+ at pitt.edu
• [molpro-user] Wave Function Definition   frornell at usp.br
• [molpro-user] CCSD(T) calculation   zhendong zhao
• [molpro-user] Gaussian and Molpro DFT calculation   zhendong zhao
• [molpro-user] CCSD(T) calculation   zhendong zhao
• [molpro-user] Gaussian and Molpro DFT calculation   zhendong zhao

Last message date: Thu Apr 30 12:47:52 BST 2009
Archived on: Fri Apr 4 12:08:40 BST 2014

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