DIRAC Mailing list

• Thread Index

Listing format is the following:

• Subject
  
  • From
    
  • Date
    

• dirac.chem.sdu.dk will be off-line today
  
  • From: Hans Jørgen Aagaard Jensen <hjj@ifk.sdu.dk>
  • Date: May 20, 2008
  
  
• DIRAC08 beta release
  
  • From: Hans Jørgen Aagaard Jensen <hjj@ifk.sdu.dk>
  • Date: Apr 10, 2008
  
  
• Out of bound in shielding calculations
  
  • From: "f.ferrante" <f.ferrante@unipa.it>
  • Date: Apr 07, 2008
  
  
• Basis sets
  
  • From: Ken Dyall <dyall@schrodinger.com>
  • Date: Mar 20, 2008
  
  
• DIRAC news
  
  • From: Hans Jørgen Aagaard Jensen <hjj@ifk.sdu.dk>
  • Date: Feb 25, 2008
  
  
• Re: Expectation values for multiple open
  
  • From: Trond saue <tsaue@chimie.u-strasbg.fr>
  • Date: Feb 04, 2008
  
  
• Expectation values for multiple open she
  
  • From: "Ulf Ekström" <uekstrom@gmail.com>
  • Date: Feb 03, 2008
  
  
• DIRAC04 with openmpi-1.2.x
  
  • From: alfcanova@fc.unesp.br
  • Date: Nov 08, 2007
  
  
• some questions abouit DIRAC
  
  • From: "Deng Gang" <hustask@gmail.com>
  • Date: Jul 06, 2007
  
  
• Re: CC error
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Jun 29, 2007
  
  
• CC error
  
  • From: "Luis Alvarez-Thon" <quaternionic@gmail.com>
  • Date: Jun 28, 2007
  
  
• Re: problems with Dirac
  
  • From: Stefan Knecht <stefan@theochem.uni-duesseldorf.de>
  • Date: Jun 28, 2007
  
  
• Re: problems with Dirac
  
  • From: Trond saue <tsaue@chimie.u-strasbg.fr>
  • Date: Jun 28, 2007
  
  
• problems with Dirac
  
  • From: kdrenck@phys.au.dk
  • Date: Jun 28, 2007
  
  
• Re: print out MO coefficients
  
  • From: Trond saue <tsaue@chimie.u-strasbg.fr>
  • Date: Jun 28, 2007
  
  
• print out MO coefficients
  
  • From: ZOUWL <qcband@gmail.com>
  • Date: Jun 27, 2007
  
  
• FSCC on DIRAC
  
  • From: =?euc-kr?B?udq/tcPh?= <youngc@kaist.ac.kr>
  • Date: Mar 02, 2007
  
  
• Open postdoc position
  
  • From: Patrick Norman <panor@ifm.liu.se>
  • Date: Mar 01, 2007
  
  
• Re: dimensioning
  
  • From: Timo Fleig <timo@theochem.uni-duesseldorf.de>
  • Date: Dec 20, 2006
  
  
• dimensioning
  
  • From: "Martin M. Ossowski" <ossowski@usf.edu>
  • Date: Dec 19, 2006
  
  
• Re: error: NLEN smaller than zero in WA
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Sep 14, 2006
  
  
• error: NLEN smaller than zero in WAIO_I
  
  • From: Karl Irikura <karl.irikura@nist.gov>
  • Date: Sep 14, 2006
  
  
• I/O problem for file SCLINXXXX0
  
  • From: Karl Irikura <karl.irikura@nist.gov>
  • Date: Aug 22, 2006
  
  
• Re: compiling on Altix
  
  • From: Kevin McMahon <n6965@sgi.com>
  • Date: Jul 11, 2006
  
  
• Re: compiling on Altix
  
  • From: Ken Dyall <dyall@schrodinger.com>
  • Date: Jul 11, 2006
  
  
• compiling on Altix
  
  • From: Karl Irikura <karl.irikura@nist.gov>
  • Date: Jul 11, 2006
  
  
• compiling on Altix ?
  
  • From: Karl Irikura <karl.irikura@nist.gov>
  • Date: Jul 10, 2006
  
  
• parallel dirac problem, MPI_Bcast
  
  • From: straka@chem.helsinki.fi (Michal Straka)
  • Date: Jan 25, 2006
  
  
• A Question about two identical Small com
  
  • From: Pavan Petluru <pavankumar.petluru@bnpi.com>
  • Date: Dec 19, 2005
  
  
• Re: quadratic response in DIRAC04 parall
  
  • From: Ulf Ekstrom <ulfek@ifm.liu.se>
  • Date: Aug 11, 2005
  
  
• quadratic response in DIRAC04 parallel v
  
  • From: Rodolfo Romero <rodo_www@yahoo.com.ar>
  • Date: Aug 11, 2005
  
  
• More basis sets by Ken Dyall
  
  • From: Hans Jørgen Aagaard Jensen <hjj@chem.sdu.dk>
  • Date: Jun 30, 2005
  
  
• signed licence form for Dirac 04
  
  • From: Souraya Goumri-Said <sgoumri@physik.uni-kl.de>
  • Date: May 02, 2005
  
  
• Re: DIRAC04 compiler problem
  
  • From: Serguei Patchkovskii <ps@ned.sims.nrc.ca>
  • Date: Oct 08, 2004
  
  
• Re: DIRAC04 compiler problem
  
  • From: Christoph Jacob <jacob@few.vu.nl>
  • Date: Oct 08, 2004
  
  
• DIRAC04 compiler problem
  
  • From: Michael Patzschke <michaelp@chem.helsinki.fi>
  • Date: Oct 07, 2004
  
  
• RMWRK=1
  
  • From: Trond SAUE <saue@quantix.u-strasbg.fr>
  • Date: Sep 29, 2004
  
  
• Re: DIRAC04 - SELECT command
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Sep 10, 2004
  
  
• DIRAC04 - SELECT command
  
  • From: Ingo Schwab <iswch@cup.uni-muenchen.de>
  • Date: Sep 10, 2004
  
  
• DIRAC04 release
  
  • From: "Hans Jørgen Aa. Jensen" <hjj@chem.sdu.dk>
  • Date: Sep 03, 2004
  
  
• No Subject
  
  • From: "DeJong, Wibe A" <Wibe.DeJong@pnl.gov>
  • Date: Aug 06, 2004
  
  
• Re: compiling Dirac on IBM power4
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Aug 02, 2004
  
  
• compiling Dirac on IBM power4
  
  • From: Jean-Pierre Dognon <dognon@drecam.cea.fr>
  • Date: Jul 13, 2004
  
  
• Re: MP2 geometry optimization
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Jul 02, 2004
  
  
• MP2 geometry optimization
  
  • From: Ingo Schwab <iswch@cup.uni-muenchen.de>
  • Date: Jul 01, 2004
  
  
• again memget problems
  
  • From: Ingo Schwab <iswch@cup.uni-muenchen.de>
  • Date: Jun 12, 2004
  
  
• Re: Positron stated intruding
  
  • From: Ulf Ekström <ulfek@ifm.liu.se>
  • Date: Jan 26, 2004
  
  
• Re: Positron stated intruding
  
  • From: Trond SAUE <saue@quantix.u-strasbg.fr>
  • Date: Jan 26, 2004
  
  
• Positron stated intruding
  
  • From: Ulf Ekström <ulfek@ifm.liu.se>
  • Date: Jan 26, 2004
  
  
• LEVY-LEBLOND nuclear shieldings
  
  • From: Juha Vaara <jvaara@chem.helsinki.fi>
  • Date: Apr 25, 2002
  
  
• Dirac can't use MOLFDIR-type basis sets
  
  • From: zork@eyou.com
  • Date: Mar 18, 2002
  
  
• Re: Can Dirac use ECPs for DHF calculati
  
  • From: Trond SAUE <saue@quantix.u-strasbg.fr>
  • Date: Jan 28, 2002
  
  
• Can Dirac use ECPs for DHF calculations?
  
  • From: zork@eyou.com
  • Date: Jan 26, 2002
  
  
• orbital coefficients
  
  • From: Andre Severo Pereira Gomes <picapau@minmei.iqm.unicamp.br>
  • Date: Dec 20, 2001
  
  
• Ph. D. vacancy in Amsterdam
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Nov 16, 2001
  
  
• Compile problems
  
  • From: Olav Fossgaard <olav@chem.uit.no>
  • Date: Sep 18, 2001
  
  
• not enough space?
  
  • From: "Denny" <chenlh98g@mails.tsinghua.edu.cn>
  • Date: Sep 11, 2001
  
  
• Re: DIRAC bug with Redhat 7.0
  
  • From: Vebj|rn Bakken <vebjorn.bakken@kjemi.uio.no>
  • Date: Sep 07, 2001
  
  
• DIRAC bug with Redhat 7.0
  
  • From: "Denny" <chenlh98g@mails.tsinghua.edu.cn>
  • Date: Sep 07, 2001
  
  
• unsubscribe: correction
  
  • From: Vladimir Machavariani <vladimir-m@nova.co.il>
  • Date: Sep 06, 2001
  
  
• unsubscribe
  
  • From: Vladimir Machavariani <vladimir-m@nova.co.il>
  • Date: Sep 06, 2001
  
  
• Re: Work space exceeded in NUCPRO.
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Sep 06, 2001
  
  
• Work space exceeded in NUCPRO.
  
  • From: Francesco Faglioni <cecco@chi02.unimo.it>
  • Date: Sep 06, 2001
  
  
• Re: problem with Dirac mailing list ?
  
  • From: Hans Jørgen Aagaard Jensen <hjj@dou.dk>
  • Date: Sep 05, 2001
  
  
• Re:Unidentified&nbsp;subject!
  
  • From: "Denny" <chenlh98g@mails.tsinghua.edu.cn>
  • Date: Aug 31, 2001
  
  
• No Subject
  
  • From: xiao@twister.jsums.edu
  • Date: Aug 30, 2001
  
  
• The Fifth Multi-Conference on Systemics,
  
  • From: Arvydas Tamulis <tamulis@itpa.lt>
  • Date: Apr 13, 2001
  
  
• Re: An question about installation
  
  • From: Joern Thyssen <joern@thyssen.nu>
  • Date: Mar 26, 2001
  
  
• Submission & spam
  
  • From: Joern Thyssen <joern@thyssen.nu>
  • Date: Mar 07, 2001
  
  
• alphaev6-dec [Was: Re: MEMGET Error]
  
  • From: Joern Thyssen <joern@thyssen.nu>
  • Date: Feb 24, 2001
  
  
• Re: MEMGET Error
  
  • From: Prafulla Kumar Panda <panda@ift.unesp.br>
  • Date: Feb 23, 2001
  
  
• Re: MEMGET Error
  
  • From: Joern Thyssen <joern@thyssen.nu>
  • Date: Feb 08, 2001
  
  
• DIRAC PROGRAM.
  
  • From: Jesús Javier Martín Polo <poloj@quijote.ugto.mx>
  • Date: Nov 23, 2000
  
  
• Important patch
  
  • From: Joern Thyssen <joern@thyssen.nu>
  • Date: Oct 26, 2000
  
  
• Announcement of a Ph.D. stipend in Denma
  
  • From: "Hans Joergen Aa. Jensen" <hjj@dou.dk>
  • Date: Oct 13, 2000
  
  
• patch for RELCCSD
  
  • From: Luuk Visscher <visscher@chem.vu.nl>
  • Date: Sep 08, 1999
  
  
• More info about the patch...
  
  • From: Joern Thyssen <j.thyssen@auckland.ac.nz>
  • Date: Aug 13, 1999
  
  
• Patch
  
  • From: Jørn Thyssen <jth@chem.sdu.dk>
  • Date: Aug 11, 1999
  
  
• Re: Relativistic *Contracted* Gaussian
  
  • From: Jørn Thyssen <jth@chem.ou.dk>
  • Date: Dec 28, 1998
  
  
• No Subject
  
  • From: Jarkko Joki <jajoki@itu.st.jyu.fi>
  • Date: Dec 27, 1998
  
  
• Relativistic *Contracted* Gaussian
  
  • From: mochi@koma.jaeri.go.jp
  • Date: Dec 25, 1998
  
  
• unidentified object
  
  • From: Jørn Thyssen <jth>
  • Date: Oct 08, 1998
  
  
• No Subject
  
  • From: jth (Joern Thyssen)
  • Date: Oct 08, 1998
  
  
• Subscription and unsubscription
  
  • From: Jørn Thyssen <jth>
  • Date: Aug 27, 1998