December 2011 Archives by subject

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Starting: Thu Dec 1 09:35:51 GMT 2011
Ending: Fri Dec 30 11:33:43 GMT 2011
Messages: 26

• [molpro-user] "embarrassingly parallel" ccsd geometry optimization   Jan Steckel
• [molpro-user] absolute paths in the file-directive   Sve N
• [molpro-user] Can you define atoms off of the periodic table in molpro?   Seth Olsen
• [molpro-user] Can you define atoms off of the periodic table in molpro?   Thomas Ritschel
• [molpro-user] caspt2 convergence problem reg   Rajagopala Reddy seelam
• [molpro-user] caspt2 energy convergence reg   Rajagopala Reddy seelam
• [molpro-user] CASSCF calculated frequencies   xgguo
• [molpro-user] conical intersection search: error message   Ol Ga
• [molpro-user] EOM-CCSD numerical geometry optimization   Jeffrey R. Reimers
• [molpro-user] EOM-CCSD numerical geometry optimization   Kirk Peterson
• [molpro-user] EOM-CCSD numerical geometry optimization   Jeffrey R. Reimers
• [molpro-user] MEP calculation   yuyq at iccas.ac.cn
• [molpro-user] MEP calculation   Borys Szefczyk
• [molpro-user] Molpro 2010.1-23 on CentOS 6.0 does not work   Peter Ruprecht
• [molpro-user] Molpro 2010 installation problem   Jyh-Shyong
• [molpro-user] more than 1 input file not allowed   Charles E Cotton
• [molpro-user] more than 1 input file not allowed   Kirk Peterson
• [molpro-user] multi input processing in version 2010.1   Hans-Joachim Werner
• [molpro-user] READM: TRYING TO READ BEYOND RECORD BOUNDARY: for CASSCF-gradient on "many" point charges   keyarash sadeghian
• [molpro-user] Restricted virtual space   Thomas Vent-Schmidt
• [molpro-user] Restricted virtual space   Kirk Peterson
• [molpro-user] Restricted virtual space   Peter Knowles
• [molpro-user] the problem with molpro2009 on Ubuntu 11.10   Рашид Валиев
• [molpro-user] the problem with molpro2009 on Ubuntu 11.10   Andy May
• [molpro-user] TMP files   Marcela Madrid
• [molpro-user] TMP files   Javier Cerezo

Last message date: Fri Dec 30 11:33:43 GMT 2011
Archived on: Fri Apr 4 12:08:46 BST 2014

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