Mail Index

• Thread Index

• GU: Eigenvalues of overlap
  • From: parry@cthulu.med.jhu.edu (Christian Parry)
• GU: Transition dipole calculations
  • From: Neil Anderson <andersna@umich.edu>
• GU: Spin orbital coupling job fails
  • From: bcnlma@hkpv17.polyu.edu.hk (Ida N. L. Ma)
• GU: Hessian job fails
  • From: "T. Koch" <acp37@rs1.rrz.Uni-Koeln.DE>
• GU: IFREEZ using
  • From: Stanislaw Kucharski <stanley@stan.ch.pwr.wroc.pl>
• Re: GU: IFREEZ using
  • From: Joon Shik You <achilles@glue.umd.edu>
• GU: exam20 problems
  • From: Emilio San Fabian <sanfa@fisic1.ua.es>
• Re: GU: exam20 problems
  • From: dan@sage.syntex.com (Dr. Daniel L. Severance)
• Re: GU: exam20 problems
  • From: Howard Pritchard <hpp@cray.com>
• Re: GU: exam20 problems
  • From: evaldera@ivic.ivic.ve (Elmer Valderrama)
• Re: GU: exam20 problems
  • From: dan@sage.syntex.com (Dr. Daniel L. Severance)
• GU: spin-orbit...
  • From: qiang@euch4e.chem.emory.edu
• Re: GU: IFREEZ using
  • From: m55491@wrsun1.mipec.co.jp (Hidetsugu Tanaka/CSL)
• GU: HINT Coordinates
  • From: Juan Frau <dqujfm0@PS.uib.es>
• Re: GU: HINT Coordinates
  • From: Jun Li <junli@mosrus.mps.ohio-state.edu>
• Re: GU: HINT Coordinates
  • From: wall@phys.chem.ethz.ch (Ernst U. Wallenborn)
• GU: HINT Coordinates / natinc
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• GU: Charges using PDC.
  • From: Sergio Emanuel Gelembeck <segalemb@usp.br>
• GU: Point Charges
  • From: jaimeco@pecos.rc.arizona.edu
• Re: GU: Charges using PDC.
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• GU: soci trudge
  • From: David J Heisterberg <dheister@magnus.acs.ohio-state.edu>
• GU: Oxide calculations using GAMESS
  • From: chtdjs@lv.levels.unisa.edu.au (Darren Simpson)
• [no subject]
  • From: Brion Jean <jean.brion@univ-reims.fr>
• GU: Troubles with restart vibrational calc.
  • From: Brion Jean <jean.brion@univ-reims.fr>
• Re: GU: Troubles with restart vibrational calc.
  • From: ystenes@kjemi.unit.no (Martin Ystenes)
• GU: Summary:HESSIAN restart
  • From: Brion Jean <jean.brion@univ-reims.fr>
• Re: GU: Summary:HESSIAN restart
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: GAMESS basis set for ZnS/PbS
  • From: orcaro@lux.levels.unisa.edu.au (orcaro)
• GU: compiling problems
  • From: connolly@cctr.umkc.edu
• Re: GU: compiling problems
  • From: Stephen P Molnar <smolnar@magnus.acs.ohio-state.edu>
• Re: GU: compiling problems
  • From: connolly@cctr.umkc.edu
• Re: GU: compiling problems
  • From: Pedro A M Vazquez <vazquez@iqm.unicamp.br>
• GU: mcscf problems
  • From: "john w. connolly" <connolly@cctr.umkc.edu>
• GU: learning GAMESS source
  • From: Patrick Bultinck <patrick@hartree2.rug.ac.be>
• Re: GU: learning GAMESS source
  • From: qiang@euch4e.chem.emory.edu
• Re: GU: learning GAMESS source
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Seeking Molecular Dynamics package
  • From: Victor Anisimov <vam@kon.icp.ac.ru>
• GU: ECPs and Gamess
  • From: joubert@ext.jussieu.fr (Laurent Joubert)
• Re: GU: ECPs and Gamess
  • From: jaimeco@pecos.rc.arizona.edu
• GU: parallel trouble
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• Re: GU: IRC Problems/Question
  • From: ystenes@kjemi.unit.no (Martin Ystenes)
• Re: GU: IRC Problems/Question
  • From: cory@bohr.chem.mun.ca (Cory C. Pye)
• GU: Compilation error?
  • From: CIRCUS PEANUT <ESPAULDING@CENTER.COLGATE.EDU>
• GU: New GAMESS Version - June/22/1996
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: HINT Coordinates / natinc
  • From: Mariusz.Klobukowski@UAlberta.CA
• GU: segmentation fault..?!
  • From: Sabry El-Taher <SABRY@FRCU.EUN.EG>
• GU: mass-weighted cartesian coordinates ?
  • From: chamma@univ-perp.fr (didier Chamma)
• GU: mass weighted cartesian coordinates ?
  • From: chamma@univ-perp.fr (didier Chamma)
• GU: GAMESS on CRAY J90
  • From: Gotthard Saghi-Szabo <gotthard@quartz.ciw.edu>
• GU: I'd appreciate...
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• GU: Help with Transition State Search
  • From: underhil@hp.rmc.ca (Ross Underhill)
• [no subject]
  • From: ERIC SPAULDING <ESPAULDING@CENTER.COLGATE.EDU>
• [no subject]
  • From: ERIC SPAULDING <ESPAULDING@CENTER.COLGATE.EDU>
• GU: done
  • From: ERIC SPAULDING <ESPAULDING@CENTER.COLGATE.EDU>
• GU: Density Questions
  • From: Fred Salsbury <sals@midway.uchicago.edu>
• GU: Electron densities
  • From: Fred Salsbury <sals@midway.uchicago.edu>
• GU: How can I submit a lot of jobs at the same time
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• Re: GU: How can I submit a lot of jobs at the same time
  • From: cory@bohr.chem.mun.ca (Cory C. Pye)
• Re: GU: How can I submit a lot of jobs at the same time
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• Re: GU: How can I submit a lot of jobs at the same time
  • From: Istvan Cserny <cserny@atomki.hu>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: Point charges for embedding
  • From: Paul Siders <psiders@d.umn.edu>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: Wavefunction
  • From: Fred Salsbury <sals@midway.uchicago.edu>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: Victor Anisimov <vam@kon.icp.ac.ru>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: Elmer Valderrama <evaldera@quantum.ivic.ve>
• Re: GU: How can I submit a lot of jobs at the same time
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• [no subject]
  • From: Araken dos Santos Werneck Rodrigues <werneck@tritium.fis.unb.br>
• [no subject]
  • From: Araken dos Santos Werneck Rodrigues <werneck@helium.fis.unb.br>
• GU: Problems with silabenz.inp
  • From: jan@si.fi.ameslab.gov (Jan Jensen)
• GU: spaces between the fields
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: Strange problems with GAMESS I2CASE (fwd)
  • From: Patrick Bultinck <patrick@hartree2.rug.ac.be>
• GU: NBO 3.0
  • From: "Frederick P. Arnold, Jr." <fparnold@uchicago.edu>
• Re: GU: learning GAMESS source
  • From: ERIC SPAULDING <ESPAULDING@CENTER.COLGATE.EDU>
• Re: GU: NBO 3.0
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• Re: GU: learning GAMESS source
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: Istvan Cserny <cserny@atomki.hu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: adler@pulsar.cs.wku.edu (Allen Adler)
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: adler@pulsar.cs.wku.edu (Allen Adler)
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: Pedro A M Vazquez <vazquez@iqm.unicamp.br>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: adler@pulsar.cs.wku.edu (Allen Adler)
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: Control of distribution
  • From: adler@pulsar.cs.wku.edu (Allen Adler)
• GU: GAMESS port to Linux
  • From: Istvan Cserny <cserny@atomki.hu>
• Re: GU: GAMESS port to Linux
  • From: Pedro A M Vazquez <vazquez@iqm.unicamp.br>
• GU: How do I compile Gamess for Silicon Graphics Onyx?
  • From: CBORRILL@raychem.com
• [no subject]
  • From: Fred Salsbury <sals@midway.uchicago.edu>
• [no subject]
  • From: wall@phys.chem.ethz.ch (Ernst U. Wallenborn)
• GU: Re:
  • From: ystenes@kjemi.unit.no (Martin Ystenes)
• [no subject]
  • From: Nelson Henrique Morgon <nelson@iqm.unicamp.br>
• GU: Choosing simetry group
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: symmetry
  • From: Jiri Czernek <czernek@chemi.muni.cz>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Compiling GAMESS in Linux/ELF
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: Choosing a different symmetry plane
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU:symmetry problems with GAMESS
  • From: Won Kim <wkim@physics.adelaide.edu.au>
• GU: Re: symmetry problem with GAMESS
  • From: Won Kim <wkim@physics.adelaide.edu.au>
• Re: GU: Re: symmetry problem with GAMESS
  • From: Kurt R Glaesemann <kurtg@iastate.edu>
• GU: A Masters degree in Comp Chem using the internet.
  • From: b_duke@lacebark.ntu.edu.au
• GU: New GAMESS Version - September/11/1996
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: optimizing memory use
  • From: Matt Saderholm <matsad@peptide.chem.unc.edu>
• Re: GU: optimizing memory use
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: optimizing memory use
  • From: bianco@lord.Colorado.EDU (Roberto Bianco)
• Re: GU: optimizing memory use
  • From: freitas@ksu.edu (Michael A. Freitas)
• GU: Gamess, Saddle Point Search
  • From: Thorsten Koch <acp37@rs1.rrz.Uni-Koeln.DE>
• Re: GU: Gamess, Saddle Point Search
  • From: Frank Jensen <frj@dou.dk>
• GU: Input Problems
  • From: "Stephen P. Molnar" <smolnar@magnus.acs.ohio-state.edu>
• Re: GU: Input Problems
  • From: freitas@ksu.edu (Michael A. Freitas)
• Re: GU: Input Problems
  • From: bianco@lord.Colorado.EDU (Roberto Bianco)
• Re: GU: Input Problems
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Input Problems
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• [no subject]
  • From: sssssssssss <andr@ipoc.rnd.runnet.ru>
• GU: Partial Geometry Optimization
  • From: yoshicad@mxa.meshnet.or.jp
• GU: METHOD=CONOPT question
  • From: Thorsten Koch <acp37@rs1.rrz.Uni-Koeln.DE>
• Re: GU: Partial Geometry Optimization
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: METHOD=CONOPT question
  • From: Frank Jensen <frj@dou.dk>
• GU: re: compilation of Gamess on Hp720
  • From: "M.Govender" <GOVENDEM@che.und.ac.za>
• Re: GU: re: compilation of Gamess on Hp720
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: re: compilation of Gamess on Hp720
  • From: underhil@hp.rmc.ca (Ross Underhill)
• Re: GU: re: compilation of Gamess on Hp720
  • From: "M.Govender" <GOVENDEM@che.und.ac.za>
• GU: GAMESS properties visualization
  • From: Jeffrey J Gosper <Jeffrey.Gosper@brunel.ac.uk>
• GU: MCSCF on excited states...
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• Re: GU: MCSCF on excited states...
  • From: Won Kim <wkim@physics.adelaide.edu.au>
• Re: GU: MCSCF on excited states...
  • From: "Cristian G. Sanchez" <csanchez@fcq.uncor.edu>
• Re: GU: MCSCF on excited states...
  • From: qiang@euch4e.chem.emory.edu
• [no subject]
  • From: Piotr Cysewski <piotrc@amb.bydgoszcz.pl>
• Re: GU: MCSCF on excited states...
  • From: Victor Anisimov <vam@kon.icp.ac.ru>
• GU: Re: your mail
  • From: "John A. Tossell" <tossell@chem.umd.edu>
• GU: Re: your mail
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• GU: Freezing atoms
  • From: orcaro@lux.levels.unisa.edu.au (orcaro)
• GU: Raman
  • From: "Patrik Johansson" <patrikj@moore.kemi.uu.se>
• Re: GU: Looking for Inorganic structures database
  • From: brian@pasteur.paisley.ac.uk
• GU: Freq with GAMESS...
  • From: qiang@euch4e.chem.emory.edu
• GU: Z-matrix error
  • From: orcaro@lux.levels.unisa.edu.au (orcaro)
• GU: Natural Internal Coordinates for linear bend
  • From: CBORRILL@raychem.com
• GU: Problems when I run the Gamess
  • From: Demetrio <dasf@elogica.com.br>
• GU: non-direct SCF option
  • From: "Todd J. Raeker" <raeker@saturn.kent.edu>
• Re: GU: Natural Internal Coordinates for linear bend
  • From: Jeffrey J Gosper <Jeffrey.Gosper@brunel.ac.uk>
• Re[2]: GU: Natural Internal Coordinates for linear bend
  • From: CBORRILL@raychem.com
• GU: Erro Menssage.
  • From: dasf@mandacaru.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: Final energy changes when using direct SCF !
  • From: CBORRILL@raychem.com
• Re: GU: Final energy changes when using direct SCF !
  • From: jan@si.fi.ameslab.gov (Jan Jensen)
• Re: GU: Final energy changes when using direct SCF !
  • From: "Patrik Johansson" <patrikj@moore.kemi.uu.se>
• GU: How do I allow gamess to run for more than an hour?
  • From: Andrew Horsfield <andrew.horsfield@materials.oxford.ac.uk>
• Re: GU: How do I allow gamess to run for more than an hour?
  • From: Peter Burk <burk@organik.uni-erlangen.de>
• Re: GU: How do I allow gamess to run for more than an hour?
  • From: Thorsten Koch <acp37@rs1.rrz.Uni-Koeln.DE>
• GU: Bug for Electrostatic Potential Fitting with PDC option?
  • From: Yue Shi Yi <SHIYI.YUE@apru.ca.astra.com>
• GU: Scaling MP2 and MP4 Frequencies
  • From: freitas@ksu.edu (Michael A. Freitas)
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: "Vidar R. Jensen" <Vidar.Jensen@kj.uib.no>
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: Patrik Johansson <patrikj@moore.kemi.uu.se>
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: joubert@ext.jussieu.fr (Laurent Joubert)
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: Jun Li <junli@mosrus.mps.ohio-state.edu>
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: Steve Bennett <sbennett@wotan.duch.udel.edu>
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: Pal Csaszar <pcsaszar@alchemy.chem.utoronto.ca>
• Re: GU: Scaling MP2 and MP4 Frequencies
  • From: "M.Govender" <GOVENDEM@che.und.ac.za>
• GU: need help compiling on T3D
  • From: bruno@tharros.dipchim.uniss.it
• GU: need help compiling gamess on T3D
  • From: bruno@tharros.dipchim.uniss.it
• Re: GU: need help compiling gamess on T3D
  • From: "N.A. Nystrom" <nystrom@psc.edu>
• GU: max no. of optimisation steps
  • From: Mika Lindvall <mli@sun3.oulu.fi>
• Re: GU: max no. of optimisation steps
  • From: Ioannis Dimitropoulos <idimitr@cc.uoi.gr>
• RE: GU: max no. of optimisation steps
  • From: LAZAROU@talos.cc.uch.gr
• GU: Choosing symmetry group.
  • From: dasf@beta.df.ufpe.br (Demetrio A. Da Silva Filho)
• GU: need help fitting charges to ESP (fwd)
  • From: bruno@tharros.dipchim.uniss.it
• GU: PDC fix (fwd)
  • From: Garry Smith <G.T.Smith@durham.ac.uk>
• GU: EMT Trap?
  • From: Nien-Hui Ge <nhge@xenon.cchem.berkeley.edu>
• GU: 2nd order Density Matrix
  • From: Xavier Fradera i Llinàs <xavier@stark.udg.es>
• GU: New GAMESS Version
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: How to get a new version of GAMESS
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: compatibility problems
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: Se Calcs: get different result using N31 and BC???
  • From: "Andrew R. Cook" <andy@anchtk.chm.anl.gov>
• Re: GU: Se Calcs: get different result using N31 and BC???
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: Re: GU: Se Calcs: get different result using N31 and BC???
  • From: "Andrew R. Cook" <andy@anchtk.chm.anl.gov>
• Re: GU: Se Calcs: get different result using N31 and BC???
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: To run Linux in Cyrix machine
  • From: "Tsan Lay, Department of Chemistry, NJIT, Newark, NJ07102, phone: 201-642-7179. Bozzelli Thermodynamic & Kinetic Research Group" <lay@tesla.njit.edu>
• Re: GU: To run Linux in Cyrix machine
  • From: Perttu Permi <ppermi@ernst.oulu.fi>
• Re: GU: To run Linux in Cyrix machine
  • From: "Ananikov V.P." <val@nmr1.ioc.ac.ru>
• GU: Problem with DMA
  • From: Juan Frau <dqujfm0@PS.UIB.ES>
• Re: GU: Problem with DMA
  • From: jan@si.fi.ameslab.gov (Jan Jensen)
• GU: How to calc trans. dipoles and osc. strengths from MP2 runs
  • From: "Andrew R. Cook" <andy@anchtk.chm.anl.gov>
• Re: GU: How to calc trans. dipoles and osc. strengths from MP2 runs
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• GU: CI in ab initio
  • From: YNADI@FRCU.EUN.EG
• Re: GU: How to calc trans. dipoles and osc. strengths from MP2 runs
  • From: wall@phys.chem.ethz.ch (Ernst U. Wallenborn)
• GU: UNIX systems call in Fortran source code
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: Using Loadleveler
  • From: simone@alpha.lncc.br (Simone de Lima Martins)
• GU: gamess and tcgmsg on Linux ELF
  • From: Juan Casero <jcaser01@fiu.edu>
• GU: status of TCGMSG under Linux?
  • From: adler@pulsar.cs.wku.edu (Allen Adler)
• Re: GU: status of TCGMSG under Linux?
  • From: juan j casero <jcaser01@fiu.edu>
• GU: Good book on introductory computational chem.
  • From: Juan Casero <jcaser01@fiu.edu>
• GU: Problem with scr files...
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• Re: GU: Problem with scr files...
  • From: "D M Benoit" <dmb@argon.chem.ucl.ac.uk>
• GU: Installation of gamess on Linux / g77
  • From: tamtam@thyme.nsci.osaka-wu.ac.jp (Tamio Tsukamoto)
• GU: organic radicals with 30 or less heavy atoms
  • From: GOSTOWSKIR@APSU01.APSU.EDU
• GU: Cray cf90 compiler problem
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: Optimising positions
  • From: orcaro@lux.levels.unisa.edu.au (orcaro)
• Re: GU: How to get a new version of GAMESS
  • From: bruno@tharros.dipchim.uniss.it
• GU: error? -help
  • From: sol <sol@sol.icti.ivanovo.su>
• GU: Dummy atoms
  • From: orcaro@lux.levels.unisa.edu.au (orcaro)
• GU: GAMESS Input File Problems
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: GAMESS Input File Problems
  • From: tliang@utmmg.med.uth.tmc.edu (T. Chyau Liang, Ph.D.)
• Re: GU: GAMESS Input File Problems
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: Question on MP2 runs
  • From: Steve Bennett <sbennett@wotan.duch.udel.edu>
• GU: ICHARG=?? for Zwitterionic Species?
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: symmetry problem with IRC calcs ?
  • From: "Patrik Johansson" <patrikj@moore.Kemi.UU.SE>
• GU: Gamess on Linux
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• Re: GU: Gamess on Linux
  • From: Istvan Cserny <cserny@atomki.hu>
• Re: GU: Gamess on Linux
  • From: Peter Beichert <pbeichert@AWI-Bremerhaven.DE>
• GU: IRC bifurcation/symmetry problem
  • From: jan@si.fi.ameslab.gov (Jan Jensen)
• RE: GU: Gamess on Linux
  • From: Juan Casero <jcaser01@fiu.edu>
• [no subject]
  • From: Juan Casero <jcaser01@fiu.edu>
• Re: GU:GAMESS on Linux -> GAMESS on MS DOS
  • From: sol <sol@sol.icti.ivanovo.su>
• GU: printing ESP.
  • From: Sérgio Emanuel Galembeck <segalemb@usp.br>
• GU: Parallel MCSCF...
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• Re: GU: printing ESP.
  • From: tliang@utmmg.med.uth.tmc.edu (T. Chyau Liang, Ph.D.)
• GU: Parallel MCSCF...
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• GU: Output error on Linux
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• Re: GU: Output error on Linux
  • From: Ioannis Dimitropoulos <idimitr@cc.uoi.gr>
• GU: Intermittant Problem
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Intermittant Problem
  • From: "Ernst U. Wallenborn" <wallenborn@phys.chem.ethz.ch>
• Re: GU: Intermittant Problem
  • From: tliang@utmmg.med.uth.tmc.edu (T. Chyau Liang, Ph.D.)
• Re: GU: Intermittant Problem
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: Compiling in Linux
  • From: Alan Aspuru Guzik <aspuru@eros.pquim.unam.mx>
• Re: GU: Compiling in Linux
  • From: Istvan Cserny <cserny@atomki.hu>
• GU: Compiling on Linux. Failure.
  • From: Alan Aspuru Guzik <aspuru@eros.pquim.unam.mx>
• RE: GU: Compiling on Linux. Failure.
  • From: Juan Jose Casero <jcaser01@fiu.edu>
• Re: GU: Compiling on Linux. Failure.
  • From: Istvan Cserny <cserny@atomki.hu>
• GU: New GAMESS Version
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Compiling in Linux... The story.
  • From: Alan Aspuru Guzik <aspuru@eros.pquim.unam.mx>
• Re: GU: Compiling in Linux... The story.
  • From: Istvan Cserny <cserny@atomki.hu>
• GU: Problems with symmetry
  • From: "Ramon Sayos" <r.sayos@dynamics.qf.ub.es>
• GU: Z matrix problem
  • From: "Anthony O'Dea" <orcaro@lux.levels.unisa.edu.au>
• Re: GU: Z matrix problem
  • From: "Ernst U. Wallenborn" <wallenborn@phys.chem.ethz.ch>
• Re: GU: Z matrix problem
  • From: shimizu@shinetsu.co.jp (SHIMIZU Hideaki)
• Re: GU: Z matrix problem
  • From: "Dr. Bruno Manunza" <bruno@antas.agraria.uniss.it>
• GU: help MCSCF and effective fragment
  • From: ecker@crpcu.lu (Paul Ecker)
• Re: GU: help MCSCF and effective fragment
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• Re: GU: help MCSCF and effective fragment
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• Re: GU: help MCSCF and effective fragment
  • From: Ananikov VP <val@nmr1.ioc.ac.ru>
• GU: missing MCQDPD module
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: missing MCQDPD module
  • From: ecker@crpcu.lu (Paul Ecker)
• Re: GU: missing MCQDPD module
  • From: Peter Beichert <pbeichert@AWI-Bremerhaven.DE>
• GU: Non-default Values for PLTORB and MOLPLT
  • From: smolnar@postbox.acs.ohio-state.edu
• Re: GU: Non-default Values for PLTORB and MOLPLT
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: Non-default Values for PLTORB and MOLPLT
  • From: bianco@lord.Colorado.EDU (Roberto Bianco)
• Re: GU: Non-default Values for PLTORB and MOLPLT
  • From: "Ernst U. Wallenborn" <wallenborn@phys.chem.ethz.ch>
• GU: LCD. How to use?
  • From: Sergio Emanuel Gelembeck <segalemb@usp.br>
• Re: GU: LCD. How to use?
  • From: jan@si.fi.ameslab.gov (Jan Jensen)
• GU: Grids
  • From: Fred Salsbury <sals@dirac.CChem.Berkeley.EDU>
• GU: bsse
  • From: pino@mingus.dichi.unina.it
• GU: Re: Linux-SMP on Dual-PPro 200
  • From: Elmer Valderrama <evaldera@ivic.ivic.ve>
• GU: How to adjust parameters for Direct FField calculation
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• GU: ESP/charge - MP2/6-31G*//HF/6-31G*
  • From: "T. Chyau Liang" <tliang@utmmg.med.uth.tmc.edu>
• GU: internal coordinate - hessian
  • From: Malisa Chiappero <malisa@fisquim.uncor.edu>
• GU: internal coordinate - hessian
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: hessian with internal coordinate
  • From: Malisa Chiappero <malisa@nirvana.uncor.edu>
• GU: Transition state calculation with colinear atoms
  • From: "EARNSHAW,Chris AgrEvo CHM CHP" <Chris.Earnshaw@AgrEvo.COM>
• GU: counterpoise bug in (31 Oct 96) GAMESS?
  • From: "Robert Hinde" <HINDE@novell.chem.utk.edu>
• Re: GU: counterpoise bug in (31 Oct 96) GAMESS?
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• GU: install size (fwd)
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: install size (fwd)
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: READ THIS
  • From: Juan Jose Casero <jcaser01@fiu.edu>
• Re: GU: READ THIS
  • From: Pal Csaszar <pcsaszar@alchemy.chem.utoronto.ca>
• Re: GU: READ THIS
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: BSSE calculations
  • From: "Todd J. Raeker" <raeker@saturn.kent.edu>
• GU: CI-gradient
  • From: Xavier Fradera <xavier@stark.udg.es>
• GU: Linux problem
  • From: BoB lesuer <rlesuer@zoo.uvm.edu>
• GU: Linux problem solved
  • From: BoB lesuer <rlesuer@zoo.uvm.edu>
• GU: Gamess GUI
  • From: tpthoms <tpthoms@mail.fia.net>
• GU: Aplogy for READ THIS
  • From: Juan Casero <jcaser01@fiu.edu>
• GU: Xwindows plotting of AIMPAC output
  • From: brian@pasteur.paisley.ac.uk
• GU: The PC GAMESS v. 4.1 is available (fwd)
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Sporadic I/O error on Cray Y-MP
  • From: chalc@cypress.mcsr.olemiss.edu (Andrew L. Cooksy)
• [no subject]
  • From: chalc@cypress.mcsr.olemiss.edu (Andrew L. Cooksy)
• GU: Thanks for your advice
  • From: tpthoms@mail.fia.net
• GU: Thanks for your advice
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: GAMESS and NBO_4.0
  • From: Matthias Mann <mann@coch03.chm.tu-dresden.de>
• Re: GU: The PC GAMESS v. 4.1 is available (fwd)
  • From: "P. Thomas Fenn" <tfenn@iastate.edu>
• GU: rotational barriers in gamess (Q)
  • From: "Mauro A. Cremonini" <mauro@carbon.foodsci.unibo.it>
• GU: rotational barriers in gamess (Q)
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: Z-Matrix
  • From: "Mauro A. Cremonini" <mauro@carbon.foodsci.unibo.it>
• GU: Transition moments
  • From: "Walter J. Stevens" <walter.stevens@nist.gov>
• GU: Pentium II bug and GAMESS
  • From: Steve Bennett <sbennett@wotan.duch.udel.edu>
• Re: GU: Pentium II bug and GAMESS
  • From: Pal Csaszar <pcsaszar@alchemy.chem.utoronto.ca>
• GU: Pentium II, benchmarks and observations
  • From: Steve Bennett <sbennett@wotan.duch.udel.edu>
• Re: GU: Pentium II, benchmarks and observations
  • From: Pal Csaszar <pcsaszar@alchemy.chem.utoronto.ca>
• GU: Problem with graphics programs
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: Normal modes matrix
  • From: Edgar Daza Quimica UNALCOL <eedaza@ciencias.ciencias.unal.edu.co>
• Re: GU: Normal modes matrix
  • From: Karl Irikura <karl.irikura@nist.gov>
• GU: PC GAMESS and DUN-04011 bug
  • From: gran@classic.chem.msu.su
• GU: GAMESS input question
  • From: "Hr. Dr. S. Shapiro" <toukie@zui.unizh.ch>
• Re: GU: GAMESS input question
  • From: Bjoern Pedersen <bjoern@poseidon.org.chemie.tu-muenchen.de>
• GU: GAMESS input question
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: Answer to query
  • From: "Hr. Dr. S. Shapiro" <toukie@zui.unizh.ch>
• GU: A GVB and MCSCF problem.
  • From: b_duke@lacebark.ntu.edu.au
• GU: Problems with HSSEND
  • From: "Mauro A. Cremonini" <mauro@carbon.foodsci.unibo.it>
• GU: MP2 properties
  • From: Edgar Daza Quimica UNALCOL <eedaza@ciencias.ciencias.unal.edu.co>
• GU: Installing GAMESS on ALPHA/Linux
  • From: Thomas Dargel <thda0531@argon.chem.tu-berlin.de>
• GU: Problem with running GAMESS on Alpha/Linux
  • From: Thomas Dargel <thda0531@argon.chem.tu-berlin.de>
• Re: GU: Problem with running GAMESS on Alpha/Linux
  • From: Alexander Klinsky <a9004590@unet.univie.ac.at>
• Re: GU: Problem with running GAMESS on Alpha/Linux
  • From: Istvan Cserny <cserny@cserny.atomki.hu>
• GU: Error on a PC GAMESS (with example files)
  • From: Jaran Jai-nhuknan <jjainhuknan@miavx1.acs.muohio.edu>
• GU: Error on a PC GAMESS (with example files)
  • From: Jaran Jai-nhuknan <jjainhuknan@miavx1.acs.muohio.edu>
• Re: GU: Error on a PC GAMESS (with example files)
  • From: Daniel Ormsby <danielo@chemistry.leeds.ac.uk>
• Re: GU: Error on a PC GAMESS (with example files)
  • From: JJAINHUKNAN@miavx1.acs.muohio.edu
• GU: Punch file for $VEC card
  • From: Shiang-Tai Lin <stlin@UDel.Edu>
• GU: Punch file for $VEC card
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• Re: GU: Punch file for $VEC card
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Installing Gamess on an old RS6k (Long Story)
  • From: Thomas Burkholder <burkholder@ccsu.edu>
• GU: Punch file for $VEC card
  • From: Shiang-Tai Lin <stlin@UDel.Edu>
• GU: Installing Gamess on an old RS6k (Long Story)
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: SCF does not converge with PCM calc.
  • From: usui@geb.ge.niigata-u.ac.jp (USUI Satoshi)
• Re: GU: SCF does not converge with PCM calc.
  • From: usui@geb.ge.niigata-u.ac.jp (USUI Satoshi)
• GU: Summary: Problem w. running GAMESS on Alpha/Linux
  • From: Thomas Dargel <thda0531@argon.chem.tu-berlin.de>
• GU: Chapter 2: Installing Gamess on an old RS6k (Long Story)
  • From: Thomas Burkholder <burkholder@ccsu.edu>
• Re: GU: Chapter 2: Installing Gamess on an old RS6k (Long Story)
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Chapter 3: Installing Gamess on an old RS6k (Long Story)
  • From: Thomas Burkholder <burkholder@ccsu.edu>
• Re: GU: Chapter 3: Installing Gamess on an old RS6k (Long Story)
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: SCF does not converge with PCM calc.
  • From: bianco@lord.Colorado.EDU (Roberto Bianco)
• GU: About Eigenvectors
  • From: Roberto Rivelino de Melo Moreno <rivelino@ufba.br>
• Re: GU: Installing GAMESS on ALPHA/Linux
  • From: juan j casero <jcaser01@fiu.edu>
• Re: GU: About Eigenvectors
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: About Eigenvectors
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Help on spin density
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• GU: bsse & symetry problems
  • From: Dariusz Martynowski <darekmar@ck-sg.p.lodz.pl>
• GU: Problems with setting up a MCQDPT calculation
  • From: "Slawomir Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Responses About Eigenvectors
  • From: Roberto Rivelino de Melo Moreno <rivelino@ufba.br>
• GU: MCSCF excitated state- GAMESS
  • From: Malisa Chiappero <malisa@nirvana.uncor.edu>
• Re: GU: MCSCF excitated state- GAMESS
  • From: uh8m-ymgc@asahi-net.or.jp (Makoto Yamaguchi)
• GU: MCSCF excitated state
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: MCSCF excitated state- GAMESS
  • From: "Cristian G. Sanchez" <csanchez@fcq.uncor.edu>
• GU: constrain variables to equivalence w/o sym?
  • From: Dawn Friedman <dsf@world.std.com>
• Re: GU: constrain variables to equivalence w/o sym?
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: constrain variables to equivalence w/o sym?
  • From: Patrick Bultinck <Patrick.Bultinck@rug.ac.be>
• GU: Spin Contamination
  • From: "Raymond C. Fort, Jr." <rcfort@maine.maine.edu>
• Re: GU: Problems with setting up a MCQDPT calculation
  • From: Edgar Daza Quimica UNALCOL <eedaza@ciencias.ciencias.unal.edu.co>
• GU: building graphics programs for GAMESS under Linux
  • From: Glenn Johnson <gjohnson@nola.srrc.usda.gov>
• Re: GU: building graphics programs for GAMESS under Linux
  • From: bianco@lord.Colorado.EDU (Roberto Bianco)
• GU: The PC GAMESS v. 4.3 is available
  • From: gran@classic.chem.msu.su
• GU: PCM calculations.
  • From: qiang@euch4e.chem.emory.edu
• GU: empirical dispersion/repulsion in PCM
  • From: Qiang Cui <qiang@tammy.harvard.edu>
• GU: PCM core dump
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: PCM core dump
  • From: Juan Jose Casero <casero@kali.cox.miami.edu>
• GU: GAMESS stops because of I/O
  • From: Tao Ke <tke@let.mit.edu>
• Re: GU: GAMESS stops because of I/O
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Restart
  • From: Thomas Burkholder <burkholder@ccsu.edu>
• GU: Restart error
  • From: Thomas Burkholder <burkholder@ccsu.edu>
• Re: GU: Restart error
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: Re: The PC GAMESS user
  • From: "Faustov Valery I." <fau@cacr.ioc.ac.ru>
• GU: compiling GAMESS on sgi O2
  • From: pino@mingus.dichi.unina.it
• Re: GU: compiling GAMESS on sgi O2
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: compiling GAMESS on sgi O2
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: compiling GAMESS on sgi O2
  • From: "Fred P. Arnold" <fparnold@balihai.uchicago.edu>
• GU: Problem with mcqdpt
  • From: "Slawomir Janicki" <slawek@alchmist.scs.uiuc.edu>
• Re: GU: Problem with mcqdpt
  • From: kurt@si.fi.ameslab.gov (Kurt Glaesemann)
• GU: Symmetry of atoms
  • From: ecker@crpcu.lu (Paul Ecker)
• Re: GU: Symmetry of atoms
  • From: kurt@si.fi.ameslab.gov (Kurt Glaesemann)
• GU: MCQDPT gradients?
  • From: "Slawomir Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Another MCQDPT question
  • From: "Slawomir Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: MCSCF & MP2
  • From: Rafael Rodriguez Pappalardo <rafapa@mozart.us.es>
• Re: GU: Another MCQDPT question
  • From: kurt@si.fi.ameslab.gov (Kurt Glaesemann)
• Re: GU: MCQDPT gradients?
  • From: kurt@si.fi.ameslab.gov (Kurt Glaesemann)
• GU: Error with GAMESS for LINUX
  • From: Leisser Klaus <leisser@merian.pch.univie.ac.at>
• GU: Error while reading $DATA
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: Gamess on Beowulf/PC Cluster?
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• Re: GU: Gamess on Beowulf/PC Cluster?
  • From: Oliver Kohlbacher <oliver@mpi-sb.mpg.de>
• Re: GU: Gamess on Beowulf/PC Cluster?
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• Re: GU: Gamess on Beowulf/PC Cluster?
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Re: Error with GAMESS for LINUX
  • From: "Alexander Klinsky" <alex.klinsky@scientist.com>
• GU: MCSCF,convergence
  • From: Malisa Chiappero <malisa@nirvana.uncor.edu>
• GU: SUMMARY, MCSCF excitated state
  • From: Malisa Chiappero <malisa@nirvana.uncor.edu>
• GU: basis set linear dependence
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: compiling GAMESS on pclinux
  • From: pino@mingus.dichi.unina.it
• Re: GU: compiling GAMESS on pclinux
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: basis set linear dependence
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: compiling GAMESS on pclinux
  • From: "Ananikov V.P." <val@nmr1.ioc.ac.ru>
• GU: Cavity in PCM
  • From: Shiang-Tai Lin <stlin@UDel.Edu>
• GU: RHF on water...
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• Re: GU: RHF on water...
  • From: "Ananikov V.P." <val@nmr1.ioc.ac.ru>
• GU: Transition moment calculation
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: gamess to unichem?
  • From: cckathy@sunset.backbone.olemiss.edu (Kathy Gates)
• GU: Which is faster Direct SCF or Non-Direct SCF
  • From: Laurence Lavelle <lavelle@mbi.ucla.edu>
• Re: GU: Which is faster Direct SCF or Non-Direct SCF
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• [no subject]
  • From: gnadig@roar.chem.psu.edu (Gautham Nadig)
• GU: Re:
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: fixing torsion angles
  • From: Glenn Johnson <gjohnson@nola.srrc.usda.gov>
• GU: All-electron basis set higher than 3-21G* for Ni.
  • From: Laurence Lavelle <lavelle@mbi.ucla.edu>
• Re: GU: All-electron basis set higher than 3-21G* for Ni.
  • From: Jun Li <junli@mosrus.mps.OHIO-STATE.EDU>
• Re: GU: fixing torsion angles
  • From: kelterer@fptchsg01.tu-graz.ac.at (Anne-Marie Kelterer)
• Re: GU: fixing torsion angles
  • From: ecker@crpcu.lu (Paul Ecker)
• Re: GU: All-electron basis set higher than 3-21G* for Ni.
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Finding saddle point of water dimer.
  • From: Raymond Fellers <rsf@cs.berkeley.edu>
• Re: GU: Finding saddle point of water dimer.
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• [no subject]
  • From: gnadig@roar.chem.psu.edu (Gautham Nadig)
• Re: GU: The PC GAMESS v. 4.3 is available
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: The PC GAMESS v. 4.3 is available
  • From: Neil McKelvie <NEMCC@CUNYVM.CUNY.EDU>
• Re: GU: The PC GAMESS v. 4.3 is available
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: The PC GAMESS v. 4.3 is available
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• Re: GU: The PC GAMESS v. 4.3 is available
  • From: "T. Chyau Liang" <tliang@utmmg.med.uth.tmc.edu>
• GU: symmetry in MCSCF
  • From: chalc@sunset.backbone.olemiss.edu (Andrew Cooksy)
• GU: help
  • From: Gautham Nadig <gnadig@roar.chem.psu.edu>
• GU: UHF Singlet Problem
  • From: redandr@usa.net
• GU: Postdoc position available
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: Partial charge calculation
  • From: "Serge Crouzy" <crouzy@bonne.ceng.cea.fr>
• Re: GU: help
  • From: kurt@si.fi.ameslab.gov (Kurt Glaesemann)
• Re: GU: UHF Singlet Problem
  • From: kurt@si.fi.ameslab.gov (Kurt Glaesemann)
• [no subject]
  • From: Gautham Nadig <gnadig@roar.chem.psu.edu>
• Re: GU: Partial charge calculation
  • From: "Dr. Bruno Manunza" <bruno@antas.agraria.uniss.it>
• GU: transition density matrix
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• GU: GAMESS under Alpha
  • From: Marcel Torok <mtorok@kosice.upjs.sk>
• Re: Re: GU: UHF Singlet Problem
  • From: redandr@usa.net
• GU: Problems with GAMESS on O200
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• Re: GU: Problems with GAMESS on O200
  • From: Wladimiro Diaz Villanueva <diaz@trurl.quifis.uv.es>
• GU: Alpha-Linux.
  • From: Alan Aspuru Guzik <aspuru@eros.pquim.unam.mx>
• Re: GU: Alpha-Linux.
  • From: "T. Chyau Liang" <tliang@utmmg.med.uth.tmc.edu>
• GU: ROHF - Problem...
  • From: "Evandro M. S. Ribeiro" <pemr@iris.ufscar.br>
• Re: GU: ROHF - Problem...
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: MacMolPlt 4.6.3 released
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• GU: Gamess on Alpha/Linux
  • From: germund@molcajete.pquim.unam.mx (Germund Hojer)
• GU: Gamess on Alpha/Linux
  • From: germund@molcajete.pquim.unam.mx (Germund Hojer)
• GU: splitting of the *.F16 file??
  • From: Txema Mercero <pobmelat@sq.ehu.es>
• Re: GU: splitting of the *.F16 file??
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: splitting of the *.F16 file??
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• GU: MCQDPT calculations with solvation
  • From: Adam Liwo <adam@sun1.chem.univ.gda.pl>
• GU: Re: MCQDPT calculations with solvation
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: MCQDPT calculations
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: MCQDPT calculations with solvation
  • From: Jonggu Jeon <jeon@chem.cmu.edu>
• Re: GU: MCQDPT calculations with solvation
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• Re: GU: MCQDPT calculations with solvation
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: New gamess version - January 06, 1998
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• Re: GU: Gamess on Alpha/Linux
  • From: Matthew Asplund <matt@xenon.cchem.berkeley.edu>
• Re: GU: Gamess on Alpha/Linux
  • From: germund@molcajete.pquim.unam.mx (Germund Hojer)
• GU: GAMESS new user
  • From: Alexandre Martins Dias <alexandre@ai1.unifenas.br>
• GU: mcqdpt
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• GU: mcqdpt
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: warning during creation of $hess data
  • From: Holger Thiesemann <holger.thiesemann@phc.uni-kiel.de>
• GU: warning during creation of $hess data
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: warning during creation of $hess data
  • From: Peter Beichert <pbeichert@AWI-Bremerhaven.DE>
• GU: time limit
  • From: Andy Williams <bd24979@binghamton.edu>
• GU: time limit
  • From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
• GU: General questions on hardware & QM calculations
  • From: Laurence Lavelle <lavelle@mbi.ucla.edu>
• GU: PC GAMESS status specifier error
  • From: "David Baker" <dbaker@siue.edu>
• Re: GU: PC GAMESS status specifier error
  • From: ecker@crpcu.lu (Paul Ecker)
• Re: GU: warning during creation of $hess data
  • From: Holger Thiesemann <holger.thiesemann@phc.uni-kiel.de>
• Re: GU: warning during creation of $hess data
  • From: Holger Thiesemann <holger.thiesemann@phc.uni-kiel.de>
• GU: The PC GAMESS version 4.4 is available
  • From: gran@classic.chem.msu.su
• Re: GU: PC GAMESS status specifier error (fwd)
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: compiling on Linux with egcs (g77)
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• GU: Type mismatches at compile time.
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• Re: GU: Type mismatches at compile time.
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: Type mismatches at compile time.
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• Re: GU: Type mismatches at compile time.
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• GU: Improved Virtual Orbitals ?
  • From: "Evandro M. S. Ribeiro" <pemr@iris.ufscar.br>
• GU: dgemm benchmarks for axp Linux and Dec Unix
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• GU: Spin densites from correlated wavefunction
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• GU: Re: dgemm benchmarks for axp Linux and Dec Unix
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• Re: GU: Re: dgemm benchmarks for axp Linux and Dec Unix
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• GU: Error in 2-DM for He?
  • From: David Mazziotti <damazz@fas.harvard.edu>
• GU: spin coupling constants
  • From: kelterer@ptc.tu-graz.ac.at (Anne-Marie Kelterer)
• Re: GU: dgemm benchmarks for axp Linux and Dec Unix
  • From: Gotthard Saghi-Szabo <gotthard@chem.umd.edu>
• GU: Error in CI DM2?
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: dgemm benchmarks for axp Linux and Dec Unix
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• GU: Re: dgemm benchmarks for axp Linux and Dec Unix
  • From: Robert Williams <bob@bob.usuf2.usuhs.mil>
• GU: MCSCF and diffuse functions
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Error in 2-RDM for He?
  • From: David Mazziotti <damazz@fas.harvard.edu>
• GU: Error in 2-RDM for He?
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Dual Processor Pentium II?
  • From: Thomas Burkholder <burkholder@ccsu.edu>
• Re: GU: Dual Processor Pentium II?
  • From: gran@classic.chem.msu.su
• GU: Re: Dual Processor Pentium II?
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Re: Dual Processor Pentium II?
  • From: Jochen Buehler <jochen@amiga.chemie.uni-konstanz.de>
• GU: CI/MCSCF
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: GAMESS on SGI
  • From: Shiang-Tai Lin <stlin@UDel.Edu>
• Re: GU: GAMESS on SGI
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: excited states with HF??
  • From: Txema Mercero <pobmelat@sq.ehu.es>
• GU: linear bend & chosen internals
  • From: Fabrice Leclerc <leclerc@tammy.harvard.edu>
• Re: GU: linear bend & chosen internals
  • From: Mark Burkard <mebd@uhura.cc.rochester.edu>
• GU: surface scan
  • From: ecker@crpcu.lu (Paul Ecker)
• GU: PM3 Li parameters in GAMESS?
  • From: Dawn Friedman <dsf@world.std.com>
• Re: GU: PM3 Li parameters in GAMESS?
  • From: Craig Burkhart <cburkhart@goodyear.com>
• GU: linear bend & chosen internals (2)
  • From: Fabrice Leclerc <leclerc@tammy.harvard.edu>
• Re: GU: linear bend & chosen internals (2
  • From: Mark Burkard <mebd@uhura.cc.rochester.edu>
• GU: constraints with effective fragments
  • From: Fabrice Leclerc <leclerc@tammy.harvard.edu>
• Re: GU: constraints with effective fragments
  • From: Mark Burkard <mebd@uhura.cc.rochester.edu>
• Re: GU: linear bend & chosen internals (2)
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• Re: GU: constraints with effective fragments
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• Re: GU: linear bend & chosen internals (2)
  • From: Fabrice Leclerc <leclerc@tammy.harvard.edu>
• GU: On H2O fundamentals
  • From: Sara Martinez <martinas@khroma.colorado.edu>
• Re: GU: On H2O fundamentals
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• Re: GU: On H2O fundamentals
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Adding semiempirical parameters
  • From: dsf@world.std.com (Dawn S Friedman)
• GU: Re: CCL:Summary: Linux versus win NT for running GAMESS
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• GU: Effective Fragment ...
  • From: Qiang Cui <qiang@tammy.harvard.edu>
• GU: Comp Chem Newbie
  • From: BoB lesuer <rlesuer@zoo.uvm.edu>
• GU: Linking Linux gamess with blas.a
  • From: Matthew Asplund <matt@xenon.cchem.berkeley.edu>
• Re: GU: Linking Linux gamess with blas.a
  • From: Michael Eilers <eilers@rmi.de>
• Re: GU: Linking Linux gamess with blas.a
  • From: val <val@cacr.ioc.ac.ru>
• GU: Making Linux Gamess run faster
  • From: Matthew Asplund <matt@xenon.cchem.berkeley.edu>
• GU: TDHF calculations and SHG
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: 5D orbital calculations with gamess?
  • From: Txema Mercero <pobmelat@sq.ehu.es>
• Re: GU: Effective Fragment ...
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: How do I excite an electron?
  • From: timothy giese <tgiese@d.umn.edu>
• GU: How do I excite an electron?
  • From: timothy giese <tgiese@d.umn.edu>
• Re: GU: How do I excite an electron?
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• GU: Mulliken Populations and Geometry Optimizations of Excited States
  • From: timothy giese <tgiese@d.umn.edu>
• GU: Your CO3(2-) problem.
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: Your CO3(2-) problem.
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: Large ab initio (scratch) files in HyperChem 5.1
  • From: Laurence Lavelle <lavelle@mbi.ucla.edu>
• GU: Compilation on linux
  • From: Sergio Galembek <segalemb@usp.br>
• Re: GU: Compilation on linux
  • From: Bjoern Pedersen <bjoern@poseidon.org.chemie.tu-muenchen.de>
• GU: Spin-orbit w/ transition moments
  • From: A Brown <Al.Brown@bristol.ac.uk>
• GU: Atomic basis set for Fe3+
  • From: Sara Martinez <martinas@khroma.colorado.edu>
• Re: GU: Atomic basis set for Fe3+
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: MOLGRF
  • From: P Spencer Davis <spencer@sc10860.dhcp.bsu.edu>
• GU: How to generate input for AIM
  • From: "Y. Tantirungrotechai" <yt203@cus.cam.ac.uk>
• Re: GU: How to generate input for AIM
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Warning: biradical with SOSCF and DIIS.
  • From: ANDREW RYZHKOV <redandr@usa.net>
• Re: GU: Warning: biradical with SOSCF and DIIS.
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: using 5 d functions and 7 f functions
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• [no subject]
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• GU: Corresponding MOs
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: Corresponding MO;s
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: Corresponding MOs
  • From: Qiang Cui <qiang@tammy.harvard.edu>
• GU: RE: Corresponding MO;s
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Corresponding MO (expand.f source code)
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: MCSCF WARNING CORE - ACTIVE GAP
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• Re: GU: Corresponding MO (expand.f source code)
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• GU: Integrals
  • From: angelo@guarany.cpd.unb.br (Angelo Marconi Maneiro)
• GU: Linuxpc: errors in symorb
  • From: "Christian Mück-Lichtenfeld" <cml@uni-muenster.de>
• Re: GU: Linuxpc: errors in symorb
  • From: Wladimiro Diaz Villanueva <diaz@trurl.quifis.uv.es>
• Re: GU: Linuxpc: errors in symorb
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: Scale factor for CASSCF freq and ZPE?
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• Re: GU: Scale factor for CASSCF freq and ZPE?
  • From: Pal Csaszar <pcsaszar@usa.net>
• GU: Help !
  • From: "Rodrigo Sal" <correarj@hotmail.com>
• Re: GU: Help !
  • From: tamtam@center.osaka-wu.ac.jp (Tamio-TSUKAMOTO)
• GU: Entering basis sets
  • From: A Brown <Al.Brown@bristol.ac.uk>
• Re: GU: Help !
  • From: "Rodrigo Sal" <correarj@hotmail.com>
• Re: GU: Help !
  • From: tamtam@center.osaka-wu.ac.jp (Tamio-TSUKAMOTO)
• Re: GU: Help !
  • From: "Rodrigo Sal" <correarj@hotmail.com>
• Re: GU: Help !
  • From: Pal Csaszar <pcsaszar@usa.net>
• Re: GU: Help !
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• Re: GU: Help !
  • From: "Rodrigo Sal" <correarj@hotmail.com>
• GU: rotate dihedral
  • From: Rudy Gostowski <gostowskir@apsu01.apsu.edu>
• GU: Survey
  • From: Sandy Jeffers <sjeffers@netcom.com>
• GU: Morokuma-Output
  • From: "Christian Mück-Lichtenfeld" <cml@uni-muenster.de>
• Re: GU: Morokuma-Output
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: fatal error
  • From: François Yves Dupradeau <Francois-Yves.Dupradeau@u-picardie.fr>
• Re: GU: fatal error
  • From: gran@classic.chem.msu.su
• Re: GU: fatal error
  • From: Laurence Lavelle <lavelle@mbi.ucla.edu>
• [no subject]
  • From: Roberto Rivelino de Melo Moreno <rivelino@ufba.br>
• GU: Irreps specifications in gamess
  • From: Roberto Rivelino de Melo Moreno <rivelino@ufba.br>
• GU: Problem with Phosphorous
  • From: "Stephen P. Molnar" <smolnar@postbox.acs.ohio-state.edu>
• Re: GU: Problem with Phosphorous
  • From: Paul Ecker <ecker@crpcu.lu>
• Re: GU: Irreps specifications in gamess
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• GU: PC GAMESS version 5.0 is available
  • From: gran@classic.chem.msu.su
• GU: 1- and 2-e integrals
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: question about $EFIELD
  • From: MARYJO@neu.edu
• GU: RE: question about $EFIELD
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Parallel GAMESS script question
  • From: "Slawek Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: SOSCF orbital gradient & convergence
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• GU: Problems with Lam61 MPI
  • From: spencer davis <spencer@bessie.che.uc.edu>
• Re: GU: Problems with Lam61 MPI
  • From: Matthew Asplund <matt@xenon.cchem.berkeley.edu>
• Re: GU: Problems with Lam61 MPI
  • From: spencer davis <spencer@bessie.che.uc.edu>
• GU: Double excitation on H2
  • From: Alejandro Parra <alex@carbo.chem.binghamton.edu>
• GU: equilibrium geometry located?
  • From: "Vladimir N. Volkov" <vnv@ihnr.polytech.ivanovo.su>
• GU: EQUILIBRIUM GEOMETRY LOCATED?
  • From: "Vladimir N. Afanesyev" <vnv@ihnr.polytech.ivanovo.su>
• GU: Bond restriction?
  • From: "Soon Hyeok Hong" <shhong@chem.snu.ac.kr>
• GU: negative point charge?
  • From: Txema Mercero <pobmelat@sq.ehu.es>
• Re: GU: negative point charge?
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: MOPAC internal coordinates
  • From: Rudy Gostowski <gostowskir@apsu01.apsu.edu>
• GU: Re: MOPAC internal coordinates
  • From: "Vladimir N. Volkov" <vnv@ihnr.polytech.ivanovo.su>
• GU: Re: MOPAC internal coordinates
  • From: "Vladimir N. Volkov" <vnv@ihnr.polytech.ivanovo.su>
• GU: Bond restriction?-resent..
  • From: "Soon Hyeok Hong" <shhong@chem.snu.ac.kr>
• GU: Re: Bond restriction?-resent..
  • From: "Boris Zhmud" <boris.zhmud@surfchem.kth.se>
• GU: CPU limit exceeded
  • From: aldo <aldo@DUTSH15.TUDELFT.NL>
• GU: Spin-Orbit coupling problem
  • From: uccaphc <uccaphc@ucl.ac.uk>
• GU: $ECP group information
  • From: Roberto Rivelino de Melo Moreno <rivelino@fis.ufba.br>
• [no subject]
  • From: aldo@DUTSH15.TUDELFT.NL (aldo)
• GU: Re:
  • From: Peter Beichert <pbeichert@AWI-Bremerhaven.DE>
• GU: f-functions
  • From: val <val@cacr.ioc.ac.ru>
• GU: Normalization of SCF-wavefunctions obatined from GAMESS-US?
  • From: Oliver Kroneisen <kroneis@th.physik.uni-frankfurt.de>
• Re: GU: Normalization of SCF-wavefunctions obatined from GAMESS-US?
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: $POINTS group input problems
  • From: "Alexander Klinsky" <alex.klinsky@scientist.com>
• GU: $POINTS group
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Small G-matrix
  • From: aldo jongejan <aldo@dutsh15.tudelft.nl>
• GU: Question about transition density...
  • From: George Heard <heard@mcmail.cis.McMaster.CA>
• GU: Direct MCSCF
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: Direct MCSCF
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: Direct MCSCF
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• Re: GU: Direct MCSCF
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• GU: Irreps for metal atoms
  • From: Roberto Rivelino de Melo Moreno <rivelino@fis.ufba.br>
• GU: MCSCF-File-Size
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• GU: Irreps for metal atoms
  • From: Roberto Moreno <rivelino@ufba.br>
• GU: a question
  • From: Chis Vasile <vchis@hera.ubbcluj.ro>
• GU: G-matrix and Natural Internal Coords
  • From: "aldo" <aldo@DUTSH15.TUDELFT.NL>
• Re: GU: G-matrix and Natural Internal Coords
  • From: Pal Csaszar <pcsaszar@alchemy.chem.utoronto.ca>
• GU: Different basis sets for different atoms?
  • From: Mike Peleah <MikePeleah@usa.net>
• GU: Core hole States
  • From: brian@pasteur.paisley.ac.uk
• GU: Transition metal
  • From: "Liu Xinying" <sunliu@public1.tpt.tj.cn>
• Re: GU: Core hole States
  • From: Uwe Hergenhahn <hergenha@FHI-Berlin.MPG.DE>
• GU: Fermi Contacts
  • From: Anne-Marie Kelterer <kelterer@ptc.tu-graz.ac.at>
• GU: How to change number of iterations?
  • From: Beda Kosata <kosatab@vscht.cz>
• Re: GU: How to change number of iterations?
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• Re: GU: Core hole States
  • From: Qiang Cui <qiang@tammy.harvard.edu>
• Re: GU: Core hole States
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• GU: Dynamic Memory
  • From: angelo@guarany.cpd.unb.br (Angelo Marconi Maneiro)
• GU: Core hole States
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Visualisation programm for GAMESS/US [WIndows9x/NT / DOS]
  • From: Mike Peleah <MikePeleah@usa.net>
• Re: GU: Visualisation programm for GAMESS/US [WIndows9x/NT / DOS]
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: PC-GAMESS under Windows 98
  • From: "Boris Zhmud" <boris.zhmud@surfchem.kth.se>
• GU: How do I animate vibrations ?
  • From: Postgrad_Student <me00109@cc.uoi.gr>
• GU: vibrational animation
  • From: Postgrad_Student <me00109@cc.uoi.gr>
• GU: Fix some parameters for geometry optimisation.
  • From: Mike Peleah <MikePeleah@usa.net>
• GU: Getting GAMESS running on RedHat Linux
  • From: James Robertson <robertsn@andrews.edu>
• Re: GU: Getting GAMESS running on RedHat Linux
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• GU: Spin-density
  • From: Red Hat Linux User <andrea@zapata.dichi.unina.it>
• GU: Basis sets
  • From: Mike Peleah <MikePeleah@usa.net>
• GU: Hydrogen bond calculations in GAMESS
  • From: Mike Peleah <MikePeleah@usa.net>
• GU: Summary: Getting GAMESS running on RedHat Linux
  • From: James Robertson <robertsn@andrews.edu>
• GU: MO plot problem under W95
  • From: Mike Peleah <MikePeleah@usa.net>
• GU: Re: MO plot problem under W95
  • From: "Sйrgio" <segalemb@usp.br>
• GU: the right BLAS for AMD K6
  • From: Eugene Leitl <eugene.leitl@lrz.uni-muenchen.de>
• Re: GU: the right BLAS for AMD K6
  • From: val <val@cacr.ioc.ac.ru>
• GU: nuclear charges ...
  • From: Txema Mercero <pobmelat@sq.ehu.es>
• Re: GU: MO plot problem under W95
  • From: Bedrich Kosata <kosatab@vscht.cz>
• GU: Graphics, X and Sun
  • From: "Hugo A. Garcia" <elhugo@objectchemistry.org>
• GU: Mulliken population analysis
  • From: "Navindra Gunawardena" <navindra_g@hotmail.com>
• Re: GU: Mulliken population analysis
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: Getting GAMESS to run in MPI parallel under Linux
  • From: James Robertson <robertsn@andrews.edu>
• GU: Lowdin and Mulliken
  • From: "Navindra Gunawardena" <navindra_g@hotmail.com>
• GU: Lowdin and Mulliken
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• GU: Gamess under Alpha linux
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: GAMESS under Alpha LINUX
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: GAMESS under Alpha LINUX
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: GAMESS under Alpha LINUX
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: GAMESS under Alpha LINUX
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: GAMESS under Alpha LINUX
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: GAMESS under Alpha LINUX
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: GAMESS under Alpha LINUX
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Re: GU: GAMESS under Alpha LINUX
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• GU: Good news - DFT will be included!
  • From: "Ilfir R. Ramazanov" <elf@anrb.ru>
• GU: Units of STANDV integrals
  • From: Ben Webb <ben@bellatrix.pcl.ox.ac.uk>
• GU: Point charge / efrag problem
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Point charge / efrag problem
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Point charge / efrag problem
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: max # of fragments (point charges)?
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: table of eigenvalues possible?
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: max # of fragments (point charges)?
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Point charge / efrag problem
  • From: gran@classic.chem.msu.su
• Re: GU: Point charge / efrag problem
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: point charges, one more time
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Point charge / efrag problem
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: [Q] keeping AOINT in memory not disk ?
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: Problems mit with symetry
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: Problems mit with symetry
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: Problems mit with symetry
  • From: Thomas Dargel <thda0531@argon.chem.tu-berlin.de>
• Re: GU: Problems mit with symetry
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: [Q] keeping AOINT in memory not disk ?
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: Tayloring / limiting output ?
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: $GUESS GUESS=MOSAVED the useful of this :comand?
  • From: dub@pc2.lpcr.u-psud.fr
• GU: EFRAGS don't like me, please help!
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: EFRAGS don't like me, please help!
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: coordinate transformation
  • From: mauricio esguerra neira <esguerra@mentecolectiva.com>
• Re: GU: coordinate transformation
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: Building on RedHat Linux 5.0 fails
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: GAMESS on SGI
  • From: aldo jongejan <aldo@dutsh15.tudelft.nl>
• Re: GU: Building on RedHat Linux 5.0 fails
  • From: ggallup@aloha.unl.edu
• GU: Building on RedHat Linux 5.0 fails (ii)
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: atom reorientation
  • From: Mauricio Esguerra <esguerra@mentecolectiva.com>
• Re: GU: atom reorientation
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• Re: GU: atom reorientation
  • From: dub@pc2.lpcr.u-psud.fr
• GU: Building on RedHat Linux 5.x fails (iii)
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Building on RedHat Linux 5.x fails (iii)
  • From: b_duke@lacebark.ntu.edu.au
• GU: thank you
  • From: mauricio esguerra neira <esguerra@mentecolectiva.com>
• Re: GU: Building on RedHat Linux 5.x fails (v)
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: Building on RedHat Linux dies in #19
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Building on RedHat Linux dies in #19
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: Building on RedHat Linux dies in #19: Solved
  • From: stefand@ferrari.lcam.u-psud.fr
• GU:gamess and linux
  • From: Bjoern Pedersen <bjoern@poseidon.org.chemie.tu-muenchen.de>
• Re: GU: Building on RedHat Linux 5.0 fails
  • From: San Ko <ks@R703a.Chem.nthu.edu.tw>
• GU: Timings for test suite ?
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Timings for test suite ?
  • From: Peeter Burk <peeter@tera.chem.ut.ee>
• GU: Compiling on PC linux.
  • From: b_duke@lacebark.ntu.edu.au
• GU: Moments of inertia.
  • From: ggallup@aloha.unl.edu
• Re: GU: Compiling on PC linux.
  • From: Bjoern Pedersen <bjoern@poseidon.org.chemie.tu-muenchen.de>
• GU: natural internal coordinates
  • From: Beda Košata <kosatab@vscht.cz>
• GU: Succesfull scripts for RedHat 5.1 with parallel support
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• GU: Time warp on HP-UX ?
  • From: stefand@ferrari.lcam.u-psud.fr
• GU: dihedral constraining and driving
  • From: Navindra Gunawardena <rgunawar@hevanet.com>
• Re: GU: Compiling on PC linux.
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: Compiling on PC linux.
  • From: stefand@ferrari.lcam.u-psud.fr
• Re: GU: Time warp on HP-UX ?
  • From: Gotthard Saghi-Szabo <gotthard@Glue.umd.edu>
• GU: SURFACE run and Force constants?
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: Use of 'pure' basis functions
  • From: "Jim Kress" <jimkress@dccmail.com>
• Re: GU: Use of 'pure' basis functions
  • From: Mark Freitag <freitag@si.fi.ameslab.gov>
• GU: BLAS libraries under Linux
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: BLAS libraries under Linux
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: BLAS libraries under Linux
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: GU: BLAS libraries under Linux
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: BLAS libraries under Linux
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: GU: BLAS libraries under Linux
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: BLAS libraries under Linux
  • From: b_duke@lacebark.ntu.edu.au
• GU: huckel for Zn
  • From: Qiang Cui <qiang@tammy.harvard.edu>
• Re: GU: huckel for Zn
  • From: b_duke@lacebark.ntu.edu.au
• GU: freezing coordinates and external bases set
  • From: val <val@cacr.ioc.ac.ru>
• GU: EFIELD option
  • From: MARYJO@neu.edu
• GU: units for electric field
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• GU: #2: IFREEZ + external bases set
  • From: val <val@cacr.ioc.ac.ru>
• GU: DRAFT FAQ: Gamess under Linux.
  • From: b_duke@lacebark.ntu.edu.au
• GU: DRAFT FAQ: Gamess and Linux.
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: DRAFT FAQ: Gamess and Linux.
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• Re: GU: huckel for Zn
  • From: b_duke@lacebark.ntu.edu.au
• GU: DRAFT FAQ: Gamess and Linux.
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: DRAFT FAQ: Gamess and Linux.
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: DRAFT FAQ: Gamess and Linux.
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• Re: GU: DRAFT FAQ: Gamess and Linux.
  • From: Eugene Leitl <eugene.leitl@lrz.uni-muenchen.de>
• Re: GU: DRAFT FAQ: Gamess and Linux.
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• GU: A Saddle Point Run.
  • From: ggallup@aloha.unl.edu
• GU: MP2 and stationary point
  • From: Ezequiel Quintana Morales <Ezequiel.Quintana@iiq.cartuja.csic.es>
• GU: Thanks and a $SURF question
  • From: Ezequiel Quintana Morales <Ezequiel.Quintana@iiq.cartuja.csic.es>
• Re: GU: MP2 and stationary point
  • From: Sergio Emanuel Gelembeck <segalemb@usp.br>
• GU: IRC RESTART problem
  • From: val <val@cacr.ioc.ac.ru>
• GU: Download new 3D-Viewers for GAMESS, AMPAC,...
  • From: "Ilfir R. Ramazanov" <elf@anrb.ru>
• GU: FAQ: Gamess and Linux plus list archives.
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: huckel for Zn
  • From: b_duke@lacebark.ntu.edu.au
• GU: FAQ: Gamess and Linux - more details.
  • From: b_duke@lacebark.ntu.edu.au
• GU: FAQ: Gamess and Linux plus list archives.
  • From: Nils Bokermann <nilsb@bilbo.iok.net>
• GU: Installing Gamess on Alpha/Linux
  • From: Jin-Koo Kang <ea@postech.ac.kr>
• GU: [Q] How to freeze _certain_ orbitals ?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re: GU: Installing Gamess on Alpha/Linux
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: [Q] How to freeze _certain_ orbitals ?
  • From: b_duke@lacebark.ntu.edu.au
• GU: little gmshelp suggestion
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: [Q] time reports on SP-2 in parallel?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re: GU: [Q] How to freeze _certain_ orbitals ?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re: GU: [Q] How to freeze _certain_ orbitals ?
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• [no subject]
  • From: Edgar Daza Quimica UNALCOL <eedaza@ciencias.ciencias.unal.edu.co>
• Re: GU: Installing Gamess on Alpha/Linux
  • From: Jin-Koo Kang <ea@postech.ac.kr>
• Re: GU: [Q] How to freeze _certain_ orbitals ?
  • From: Gotthard Saghi-Szabo <gotthard@Glue.umd.edu>
• Re: GU: Installing Gamess on Alpha/Linux
  • From: b_duke@lacebark.ntu.edu.au
• GU: Summary : Installing Gamess on Alpha/Linux
  • From: Jin-Koo Kang <ea@postech.ac.kr>
• GU: List website
  • From: Gotthard Saghi-Szabo <gotthard@Glue.umd.edu>
• Re: GU: List website
  • From: b_duke@lacebark.ntu.edu.au
• Re: GU: [Q] How to freeze _certain_ orbitals ?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: Problem with gamess on SuSE 6.0
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• GU: [Q] pltorb postscript question
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: specifying an explicit core portential
  • From: Alex Achenbach <xela@ganymed.th.physik.uni-frankfurt.de>
• GU: parallel gamess dependence on internode com. speed
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• GU: parallel gamess dependence on internode com. speed
  • From: Eugene Leitl <eugene.leitl@lrz.uni-muenchen.de>
• GU: pgcc-1.1.2 - first impression
  • From: eugene.leitl@lrz.uni-muenchen.de
• GU: [Q] building gamess on 4 cpu UltraSparc?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: frequency calculation in the PCM
  • From: Shiang-Tai Lin <stlin@UDel.Edu>
• GU: Additions to my Gamess web pages.
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• [no subject]
  • From: "Oleg Boldenkov" <bolden@uni.udm.ru>
• GU: "extra contributions" in d- and f- functions
  • From: "Oleg Boldenkov" <bolden@uni.udm.ru>
• GU: [Q] Using EFRAG/POLARIZABLE POINTS and C2V Symmetry ?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re: GU: [Q] Using EFRAG/POLARIZABLE POINTS and C2V Symmetry ?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: Compiling TCGMSG
  • From: Matthew Asplund <matt@xenon.cchem.berkeley.edu>
• GU: Gamess-Users Homepage
  • From: pobmelat@sq.ehu.es
• Re: GU: Gamess-Users Homepage
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• GU: input question
  • From: Sandra Antunez <santunez@esfm.ipn.mx>
• GU: PC GAMESS version 5.2 is available
  • From: gran@classic.chem.msu.su
• GU: rotation of $VEC
  • From: Jordi Villa <jvilla@imim.es>
• Re: GU: rotation of $VEC
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• Re: GU: rotation of $VEC
  • From: Jordi Villa <jvilla@imim.es>
• Re: GU: rotation of $VEC
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• Re: GU: rotation of $VEC
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• GU: question on electrostatic potential calculations
  • From: Chris Liang <chris-liang@sugen.com>
• Re: GU: question on electrostatic potential calculations
  • From: kaynjay@igalaxy.net
• GU: Please help me !!!
  • From: san@SN1672.spb.edu
• Re: GU: Please help me !!!
  • From: Evandro <pemr@iris.ufscar.br>
• Re: GU: Please help me !!!
  • From: san@SN1672.spb.edu
• GU: [Q] keeping Hamiltonian in memory?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• [no subject]
  • From: Joe Lin <tplin@ccit.edu.tw>
• GU: File size limits (AIX and Linux)
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: Re: File size limits
  • From: "Boris Zhmud" <boris.zhmud@surfchem.kth.se>
• Re: GU: File size limits (AIX and Linux)
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re:GU: Re: File size limits
  • From: Jochen Buehler <jochen@amiga.chemie.uni-konstanz.de>
• Re: Re:GU: Re: File size limits
  • From: "Jim Kress" <jimkress@softhome.net>
• GU: size consistency of MCQDPT
  • From: hofmann2@xerxes.ccqc.uga.edu (Matthias Hofmann)
• GU: MCQDPT2
  • From: "Dr. Kurt R. Glaesemann" <kurt@si.fi.ameslab.gov>
• GU: Re: 1GB files in AIX
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re: GU: Re: 1GB files in AIX
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: [Q] printing out the Hamiltonian matrix ?
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• GU: MCQDPT question
  • From: Matt Braunstein <matt@spectral.com>
• GU: MCDQPT2
  • From: "Dr. Kurt R. Glaesemann" <kurt@si.fi.ameslab.gov>
• GU: Surface charge distribution in PCM
  • From: Shiang-Tai Lin <stlin@UDel.Edu>
• GU: One-electron energy ...
  • From: san@SN1672.spb.edu
• GU: SCF-MI
  • From: me00109@socrates.cc.uoi.gr (Postgrad_Student)
• Re: GU: SCF-MI
  • From: "Oleg Boldenkov" <bolden@uni.udm.ru>
• GU: molecule orientation
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• GU: Basis sets on ghost atoms
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: GU: Basis sets on ghost atoms
  • From: "Stefan A. Deutscher" <stefand@ferrari.lcam.u-psud.fr>
• Re: GU: Basis sets on ghost atoms
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: COORD=FRAGONLY not existant?
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: GU: COORD=FRAGONLY not existant?
  • From: Paul Day <daypaul@biotech.ml.wpafb.af.mil>
• GU: Parallel PC GAMESS - announce of the beta test program
  • From: gran@classic.chem.msu.su
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: Joe Lin <tplin@ccit.edu.tw>
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: Wojciech Starosta <wstar@orange.ichtj.waw.pl>
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: Joe Lin <tplin@ccit.edu.tw>
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: Laurence Lavelle <lavelle@mbi.ucla.edu>
• GU: Re: Parallel PC GAMESS - announce of the beta test program
  • From: "Vasile CHIS" <vchis@hera.ubbcluj.ro>
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: gran@classic.chem.msu.su
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: Chang-ju Yoon <cjyoon@www.cuk.ac.kr>
• Re: GU: Parallel PC GAMESS - announce of the beta test program
  • From: "Students of Dr. S.R. Gadre" <tcg@chem.unipune.ernet.in>
• GU: (no subject)
  • From: "KONG, Xiangyang" <xykongc@online.sh.cn>
• GU: Beta test posts
  • From: "Dr. Kurt R. Glaesemann" <kurt@si.fi.ameslab.gov>
• GU: PCM and dir-SCF
  • From: Qiang Cui <qiang@tammy.harvard.edu>
• GU: GAMESS compilation under linux
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: Mailing list archive where?
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: GU: GAMESS compilation under linux
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: Re: GAMESS compilation under linux
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• Re: GU: Re: GAMESS compilation under linux
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: GAMESS compiled, but still not working
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: GU: Re: GAMESS compilation under linux
  • From: Peter Beichert <pbeichert@AWI-Bremerhaven.DE>
• Re: GU: GAMESS compiled, but still not working
  • From: Andreas Goeller <goeller@pc04.chemie.uni-jena.de>
• GU: Compiling GAMESS under Linux - Webpage available
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: STOP when running examples
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: SOCC Calculations
  • From: Michael W Cooley <cooley@utdallas.edu>
• GU: Fix for problem "YOU MUST ASSIGN GENERIC NAME INPUT WITH A SETENV"
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: SOCC with NUMVEC=2
  • From: Mike Cooley <cooley@utdallas.edu>
• DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA
  • From: Mail System Internal Data <MAILER-DAEMON@Glue.umd.edu>
• GU: Re: Fix for problem "YOU MUST ASSIGN GENERIC NAME INPUT WITH A SETENV"
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• GU: Error in Compiling Gamess Source Code
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: GAMESS on Redhat 6.0
  • From: Duncan Grove <duncan@cs.adelaide.edu.au>
• GU: Re: GAMESS on Redhat 6.0
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• GU: Linux Installation Problems
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• Re: GU: Linux Installation Problems
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• Re: GU: Linux Installation Problems
  • From: Duncan Grove <duncan@cs.adelaide.edu.au>
• Re: GU: Linux Installation Problems
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: Spin density from a GUGA calculation?
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Using MPICH MPI libraries, RedHat 6.0, and Gamess 2/98...
  • From: Guillermo Moyna <g.moyna@usip.edu>
• GU: Summary: Spin density from a GUGA calculation?
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: GAMESS and UV-Vis spectra
  • From: Mike Peleah <MikePeleah@mail.ru>
• GU: [Q] heat of formation
  • From: Jeongho Cha <chemedu@snu.ac.kr>
• GU: GAMESS and integral file size limits
  • From: Duncan Grove <duncan@cs.adelaide.edu.au>
• Re: GU: [Q] heat of formation
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• GU: Bond order within Semiempirical methods
  • From: Edgar Daza Quimica UNALCOL <eedaza@ciencias.ciencias.unal.edu.co>
• Re: GU: Using MPICH MPI libraries, RedHat 6.0, and Gamess 2/98...
  • From: San Ko <ks@R703a.Chem.nthu.edu.tw>
• Re: GU: Bond order within Semiempirical methods
  • From: Andreas Goeller <goeller@pc04.chemie.uni-jena.de>
• Re: GU: Bond order within Semiempirical methods
  • From: Edgar Daza Quimica UNALCOL <eedaza@ciencias.ciencias.unal.edu.co>
• GU: $LOCAL for localized orbitals
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• Re: GU: $LOCAL for localized orbitals
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: $LOCAL for localized orbitals
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: RH6.0 and parallel GAMESS using TCGMSG
  • From: Wojciech Szefler <wojteks@dago.logonet.com.pl>
• Re: GU: RH6.0 and parallel GAMESS using TCGMSG
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: GAMESS on SGI IR10000
  • From: WeiQuan Tian <wtian@uoguelph.ca>
• Re: GU: GAMESS on SGI IR10000
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: GAMESS on SGI
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: How to specify 6-311++G** basis set in gamess input
  • From: Paulo Couto <pauloc@tduarte.pt>
• Re: GU: How to specify 6-311++G** basis set in gamess input
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• GU: Another installation question
  • From: BoB LeSuer <rlesuer@zoo.uvm.edu>
• Re: GU: Another installation question
  • From: mann@coch03.chm.tu-dresden.de (Matthias Mann)
• GU: Still more problems
  • From: BoB LeSuer <rlesuer@zoo.uvm.edu>
• [no subject]
  • From: "Xρηστος Mακεδονας" <makedonas@chem.uoa.gr>
• GU: W-Mo-Pt
  • From: "Xρηστος Mακεδονας" <makedonas@chem.uoa.gr>
• Re: GU: How to specify 6-311++G** basis set in gamess input
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: GU: W-Mo-Pt
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: relativistic correction
  • From: Alan Streater <ads4@lehigh.edu>
• GU: Decart style optimization... Why?
  • From: "Ilfir R. Ramazanov" <elf@anrb.ru>
• GU: compilation error for tools
  • From: Zhang Xinhuai <ccezxh@nus.edu.sg>
• RE: GU: compilation error for tools
  • From: Zhang Xinhuai <ccezxh@nus.edu.sg>
• Re: GU: compilation error for tools
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA
  • From: Mail System Internal Data <MAILER-DAEMON@Glue.umd.edu>
• Re: GU: File size limits (AIX and Linux) again
  • From: Txema Mercero <pobmelat@sq.ehu.es>
• GU: GAMESS (Aug-99) with MPI-Linux
  • From: Guillermo Moyna <g.moyna@usip.edu>
• GU:MCSCF and excited states
  • From: "Guillaumont 4405821 Dominique" <4405821@cc.m-kagaku.co.jp>
• GU: Athlon procesor
  • From: "Jesus Orduna" <jorduna@posta.unizar.es>
• Re: GU:MCSCF and excited states
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• GU: Simple question
  • From: "David M. Schrader" <david.schrader@marquette.edu>
• Re: GU: GAMESS (Aug-99) with MPI-Linux
  • From: San Ko <ks@R703a.Chem.nthu.edu.tw>
• GU: Compiling GAMESS in SGI
  • From: fernando mota <f.mota@qf.ub.es>
• Re: GU: Compiling GAMESS in SGI
  • From: WeiQuan Tian <wtian@uoguelph.ca>
• GU: LCD Calculation
  • From: fernando mota <f.mota@qf.ub.es>
• GU: Problem Linking GAMESS object files
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• GU: Problem Linking GAMESS Object Files
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• GU: Mime-Version: 1.0
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• GU: Date: Tue, 23 Nov 1999 10:19:42 +0530 (IST)
  • From: "Students of Dr. S.R. Gadre" <tcg@chem.unipune.ernet.in>
• Re: GU: Date: Tue, 23 Nov 1999 10:19:42 +0530 (IST)
  • From: Bryan Kim <bhkim@eng.buffalo.edu>
• GU: compiling on Linux
  • From: "J Tal" <jtal@mailcity.com>
• Re: GU: compiling on Linux
  • From: Chris Harwell <charwel@chrs1.chem.lsu.edu>
• GU: SIMOMM Method
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• GU: atom electron densities
  • From: Mathy Froeyen <Matheus.Froeyen@rega.kuleuven.ac.be>
• GU: molplt graphics
  • From: Tadeusz Wasiutynski <Tadeusz.Wasiutynski@ifj.edu.pl>
• GU: Problem running GAMESS on AIX4
  • From: Joao Otavio M A Lins <jomal@chaer.iq.ufrj.br>
• GU: Excited state geom. optimization
  • From: Chien Siu Hung <s980942@mailserv.cuhk.edu.hk>
• Re: GU: Excited state geom. optimization
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• GU: How to calculate the optical transition energy?
  • From: shin_satou@mail.toagosei.co.jp
• GU: how is CI density-matrix ordered?
  • From: Uwe Hergenhahn <hergenha@FHI-Berlin.MPG.DE>
• GU: MP2 energy failure
  • From: val <val@cacr.ioc.ac.ru>
• Re: GU: MP2 energy failure
  • From: gran@classic.chem.msu.su
• GU: GAMESS on alpha linux
  • From: Gotthard Saghi-Szabo <gotthard@Glue.umd.edu>
• Re: GU: GAMESS on alpha linux
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• Re: GU: MP2 energy failure
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: GAMESS on alpha linux
  • From: Brian Salter-Duke <root@lacebark.ntu.edu.au>
• Re: GU: MP2 energy failure
  • From: val <val@cacr.ioc.ac.ru>
• Re: GU: MP2 energy failure
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA
  • From: Mail System Internal Data <MAILER-DAEMON@Glue.umd.edu>
• GU: Gamess and Compaq linux fortran
  • From: Udvardi Laszlo <udvardi@bolyai.phy.bme.hu>
• Re: GU: Gamess and Compaq linux fortran
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: Gamess and Compaq linux fortran
  • From: Udvardi Laszlo <udvardi@bolyai.phy.bme.hu>
• Re: GU: Gamess and Compaq linux fortran
  • From: Gotthard Saghi-Szabo <gotthard@Glue.umd.edu>
• GU: f2c.h file not found in redhat 6.1
  • From: François Yves Dupradeau <fyd@u-picardie.fr>
• Re: GU: f2c.h file not found in redhat 6.1
  • From: WeiQuan Tian <wtian@uoguelph.ca>
• GU: Re: f2c.h file not found in redhat 6.1
  • From: "Oleg Boldenkov" <bolden@uni.udm.ru>
• GU: SOSCF
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: SOSCF
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• Re: GU: SOSCF
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• GU: SOSCF
  • From: "Dr. Kurt R. Glaesemann" <kurt@si.fi.ameslab.gov>
• GU: Optical transition energy between different state multiplicity.
  • From: shin_satou@mail.toagosei.co.jp
• GU: GAMESS output confirmation
  • From: Yong-Wang Li <Yong-Wang.Li@rzmail.uni-erlangen.de>
• Re: GU: Gamess and Compaq linux fortran
  • From: Udvardi Laszlo <udvardi@bolyai.phy.bme.hu>
• Re: GU: Gamess and Compaq linux fortran
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: Gamess and Compaq linux fortran
  • From: Gotthard Saghi-Szabo <gotthard@Glue.umd.edu>
• Re: GU: Gamess and Compaq linux fortran
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• GU: MCSCF/work15
  • From: Andreas Goeller <goeller@pc04.chemie.uni-jena.de>
• GU: Unknow user Problem
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA
  • From: Mail System Internal Data <MAILER-DAEMON@Glue.umd.edu>
• GU: internal coordinates in $ZMAT
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• GU: Conversion from internals to cartesians didn't converge
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA
  • From: Mail System Internal Data <MAILER-DAEMON@Glue.umd.edu>
• GU: Two Interacting Triplet Species
  • From: Chien Siu Hung <s980942@mailserv.cuhk.edu.hk>
• GU: Gamess on Beowulf
  • From: Robert Williams <bob@bob.usuhs.mil>
• Re: GU: Gamess on Beowulf
  • From: Duncan Grove <duncan@cs.adelaide.edu.au>
• GU: Gamess on Beowulf
  • From: <eugene.leitl@lrz.uni-muenchen.de>
• Re: GU: Conversion from internals to cartesians didn't converge
  • From: Yong-Wang Li <Yong-Wang.Li@rzmail.uni-erlangen.de>
• GU: Spin contamination
  • From: "Vasile CHIS" <vchis@phys.ubbcluj.ro>
• GU: Ferrocene in GAMESS problem
  • From: Mike Peleah <mike@mnc.md>
• GU: 33rd MWTCC
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• GU: PLTORB
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: Spin contamination-summary
  • From: "Vasile CHIS" <vchis@phys.ubbcluj.ro>
• GU: Initial guess
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• GU: Re: Initial guess
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• GU: Graphical outputs
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• GU: RE: Graphical outputs
  • From: "Jesus Orduna" <jorduna@posta.unizar.es>
• GU: Graphical outputs: summary
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• [no subject]
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• GU: Too many iterations in the CPHF routine
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• GU: Problem with Gamess-Version Nov99 under OpenVMS/Alpha 7.1
  • From: Eberhard Heuser-Hofmann <vaxinf@CHCLU.CHEMIE.UNI-KONSTANZ.DE>
• GU: NBO by Reed/Weinhold
  • From: Gernot Katzer <Gernot.Katzer@kfunigraz.ac.at>
• GU: Hydrogen Atom
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Re: GU: Hydrogen Atom
  • From: Yong-Wang Li <Yong-Wang.Li@rzmail.uni-erlangen.de>
• GU: Antiferromagnetic calculations
  • From: "T. M. Briere" <briere@post.kek.jp>
• GU: Gamess for G4 ?
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• GU: Problem solved with Gamess-Version Nov99 under OpenVMS/Alpha 7.1
  • From: Eberhard Heuser-Hofmann <vaxinf@CHCLU.CHEMIE.UNI-KONSTANZ.DE>
• GU: EFP anybody got it working ?
  • From: Jens Schamberger <schambrg@chem.usyd.edu.au>
• GU: H2O and 6-31G(d)?
  • From: Frank Wennmohs <frankw@bph.ruhr-uni-bochum.de>
• Re: GU: H2O and 6-31G(d)?
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: H2O and 6-31G(d)?
  • From: Frank Wennmohs <frankw@bph.ruhr-uni-bochum.de>
• GU: test
  • From: Tom Kuppens <tom@hartree2.rug.ac.be>
• GU: pgf77 & gamess march-25-2000 anyone?
  • From: charwel@chrs1.chem.lsu.edu
• Re: GU: pgf77 & gamess march-25-2000 anyone?
  • From: Wladimiro Diaz Villanueva <diaz@trurl.quifis.uv.es>
• Re: GU: pgf77 & gamess march-25-2000 anyone?
  • From: Alexander Kulak <kulak@phys.bsu.unibel.by>
• GU: IRC calculation
  • From: "Li, Tao" <lit@engr.sc.edu>
• Re: GU: IRC calculation
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• RE: GU: IRC calculation
  • From: "Li, Tao" <lit@engr.sc.edu>
• Re: GU: IRC calculation
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• GU: GU Summary: PGI on linux i386 & gamess march 25,2000
  • From: charwel@chrs1.chem.lsu.edu
• GU: CASSCF/Numerical Hessian convergence problems
  • From: "Eric C. Brown" <ecbrown@u.washington.edu>
• GU: an announcement of interest to gamess-users
  • From: "Students of Dr. S.R. Gadre" <tcg@chem.unipune.ernet.in>
• DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA
  • From: Mail System Internal Data <MAILER-DAEMON@Glue.umd.edu>
• GU: Non convergence in MP2 calculation
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• Re: GU: CASSCF/Numerical Hessian convergence problems
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• Re: GU: CASSCF/Numerical Hessian convergence problems
  • From: "Guillaumont 4405821 Dominique" <4405821@cc.m-kagaku.co.jp>
• GU: CI on degenerate orbitals
  • From: Eduardo Lemos de Sa <edulsa@quimica.ufpr.br>
• Re: GU: CI on degenerate orbitals
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• GU: Using external basis sets with Z-matrix
  • From: Account for GAMESS list <jsyugu@Platinum.Chem.nthu.edu.tw>
• GU: spin-density in MCSCF
  • From: Udvardi Laszlo <udvardi@bolyai.phy.bme.hu>
• GU: the PC GAMESS version 6.0
  • From: gran@classic.chem.msu.su
• GU: Hessian Calculation crashes
  • From: Bhupendra Wakankar <bhupen@engr.uconn.edu>
• GU: Greetings - Windows98 and GAMESS
  • From: "VictorB" <cw400@freenet.carleton.ca>
• GU: Monte Carlo ?
  • From: Jens Schamberger <schambrg@chem.usyd.edu.au>
• GU: Monte Carlo ?
  • From: d.court@mdx.ac.uk
• GU: gamess dies on ibm sp not on pc cluster?
  • From: Chris <charwel@chthry.chem.lsu.edu>
• GU: MP2 wavefunction
  • From: "Petar M. Mitrasinovic" <pmitrasi@chemmail.chem.fsu.edu>
• GU: MP2 wavefunction
  • From: d.court@mdx.ac.uk
• GU: Constrained geometry search
  • From: Germund Höjer <Germund@eros.pquim.unam.mx>
• GU: ROHF-MP2 density
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: NBBP and 3-center bonds
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Natural internal coordinates
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• Re: GU: Natural internal coordinates
  • From: Volker Berghof <berghof@physik.fu-berlin.de>
• Re: GU: Natural internal coordinates
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• GU: atoms less then 0.1 apart
  • From: Valery Kuzmin <kuzminv@cv.jinr.dubna.su>
• Re: GU: atoms less then 0.1 apart
  • From: Patrick Bultinck <patrick@hartree1.rug.ac.be>
• Re: GU: Natural internal coordinates
  • From: "Bjoern Pedersen Tel. 14707" <pedersen@e21pc152.e21.physik.tu-muenchen.de>
• Re: GU: Natural internal coordinates
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• GU: frequencies
  • From: "George Papamokos" <me00109@cc.uoi.gr>
• GU: frequencies
  • From: "George Papamokos" <me00109@cc.uoi.gr>
• Re: GU: Natural internal coordinates
  • From: "Bjoern Pedersen Tel. 14707" <pedersen@e21pc152.e21.physik.tu-muenchen.de>
• GU: Re: atoms less then 0.1 apart
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• GU: Re: Natural internal coordinates
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• GU: Natural Bond Orbitals
  • From: Mozart Pimentel <mozart@dqfex.ufpe.br>
• Re: GU: Natural Bond Orbitals
  • From: Gernot Katzer <Gernot.Katzer@kfunigraz.ac.at>
• GU: Re: Natural Bond Orbitals
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• GU: RE: Re: Natural Bond Orbitals
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Installing GAMESS; actvte.code
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• Re: GU: Installing GAMESS; actvte.code
  • From: Eduardo Lemos de Sa <edulsa@quimica.ufpr.br>
• Re: GU: Installing GAMESS; actvte.code
  • From: Eduardo Lemos de Sa <edulsa@quimica.ufpr.br>
• RE: GU: Installing GAMESS; actvte.code
  • From: "Kevin Gross" <gross.4@wright.edu>
• Re: GU: Installing GAMESS; actvte.code
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: Re: Download
  • From: kmb <kmb@eticomm.net>
• GU: ROHF and Fock matrix
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• Re: GU: Re: Download
  • From: wasiutynski <wasiutyn@alf.ifj.edu.pl>
• Re: GU: Re: Download
  • From: Bill Richardson <wrichard@sciences.sdsu.edu>
• GU: UHF/MP2 problem
  • From: Chis Vasile <vchis@phys.ubbcluj.ro>
• Re: GU: UHF/MP2 problem
  • From: Mozart Pimentel <mozart@dqfex.ufpe.br>
• GU: compiling gamess on sgi
  • From: Frank Jensen <frj@dou.dk>
• GU: Spin-orbit coupling using ECPs
  • From: "Fowler Joseph F." <josephf@jilau1.Colorado.EDU>
• GU: UV spectra calculation
  • From: Rolf Claessen <claessen@goliath6.phy.albany.edu>
• GU: HOMO-LUMO overlap
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• GU: Re: inlegal basis set
  • From: Manoj Kumar Singh <manoks@cat.ernet.in>
• Re: GU: Re: inlegal basis set
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: optimization with fixed internal coordinates
  • From: "Dr.Bernhard Mayer" <mayer@uni-duesseldorf.de>
• GU: Copper(I) woes
  • From: Gerry Harbison <gerry@chem-gharbison.unl.edu>
• Re: GU: optimization with fixed internal coordinates
  • From: Vitaly Stepuro <stepuro@grsu.grodno.by>
• GU: EFP repulsive potential - help
  • From: AVElagin <AVElagin@mtu-net.ru>
• GU: GAMESS on Alpha using Quadrics switch
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• GU: Compiling Gamess in Alpha Linux
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Re: GU: Compiling Gamess in Alpha Linux
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: Compiling Gamess in Alpha Linux
  • From: Jose Luis Carreon Macedo <joseluis@eros.pquim.unam.mx>
• GU: GAMESS with LAM/MPI unstable?
  • From: Heribert Reis <hreis@eie.gr>
• GU: DFT in GAMESS
  • From: Eduardo Lemos de Sa <edulsa@quimica.ufpr.br>
• Re: GU: DFT in GAMESS
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• GU: gamess problem
  • From: Andrei Ionescu <andreir@gw-chimie.math.unibuc.ro>
• Re: GU: gamess problem
  • From: Andreas Goeller <goeller@pc04.chemie.uni-jena.de>
• Re: GU: Spin-orbit coupling using ECPs
  • From: "Fowler Joseph F." <josephf@jilau1.Colorado.EDU>
• GU: ZMAT=AUTO natural internal coord for COT
  • From: "Dr. Anne-Marie Kelterer" <kelterer@ptc.tu-graz.ac.at>
• GU: Force Constant Matrix or Hessian (FCM)
  • From: <ggallup@aloha.unl.edu>
• GU: External charges
  • From: Gerry Harbison <gerry@chem-gharbison.unl.edu>
• Re: GU: External charges
  • From: "Fowler Joseph F." <josephf@jilau1.Colorado.EDU>
• Re: GU: External charges
  • From: Gerry Harbison <gerry@chem-gharbison.unl.edu>
• GU: equivalent basis set
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• GU: Re: equivalent basis set
  • From: "Jim Kress" <jimkress@kressworks.com>
• Re: GU: equivalent basis set
  • From: Andreas Goeller <goeller@pc04.chemie.uni-jena.de>
• Re: GU: equivalent basis set
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: GU: equivalent basis set
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: GU: equivalent basis set
  • From: MCVAlmeda <csm-mcva@sulat.msuiit.edu.ph>
• Re: GU: equivalent basis set
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Re: GU: equivalent basis set
  • From: Jens Schamberger <schambrg@chem.usyd.edu.au>
• GU: geometry optimization
  • From: "M.S.Sulatha" <sulatha@poly.ncl.res.in>
• Re: GU: geometry optimization
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• GU: anharmonic effects: VSCF theory
  • From: "Andrea G. Alparone" <agalparone@dipchi.unict.it>
• GU: Re: anharmonic effects: VSCF theory
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• GU: Re: GAMESS-US on RedHat Linux 7.0
  • From: Geoff Hutchison <hutchisn@chem.nwu.edu>
• GU: PC-GAMESS and DFT
  • From: "David Bernier" <david.bernier@altavista.net>
• Re: GU: PC-GAMESS and DFT
  • From: "Ilfir R. Ramazanov" <elf@anrb.ru>
• GU: MNDO ESP
  • From: Alexander Kulak <kulak@phys.bsu.unibel.by>
• GU: running gamess in the background
  • From: Brian Taylor <Brian_Taylor1@excite.com>
• Re: GU: running gamess in the background
  • From: Pawel Dziekonski <P.Dziekonski@mml.ch.pwr.wroc.pl>
• GU: GAMESS + Lanthanide series
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• GU: Installation of GAMESS under Red Hat Linux 6.2
  • From: Manoj Kumar Singh <manoks@cat.ernet.in>
• GU: RE: Installation of GAMESS under Red Hat Linux 6.2
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• GU: Re: Installation of GAMESS under Red Hat Linux 6.2
  • From: Manoj Kumar Singh <manoks@cat.ernet.in>
• GU: RE: Re: Installation of GAMESS under Red Hat Linux 6.2
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• Re: GU: Re: Installation of GAMESS under Red Hat Linux 6.2
  • From: Brian Taylor <Brian_Taylor1@excite.com>
• Gamess: IMPORTANT - List information change
  • From: "G. Saghi-Szabo" <g.saghi-szabo@gl.ciw.edu>
• Gamess: gamess stuff
  • From: Matthew Asplund <matthew_asplund@byu.edu>
• Gamess: Re: RPA in GAMESS
  • From: Geoff Hutchison <hutchisn@chem.nwu.edu>
• Gamess: reorientation of molecules
  • From: Francois Dupradeau <fyd@u-picardie.fr>
• Re: Gamess: gamess stuff
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Gamess: VSCF calculations
  • From: "Daron I. Freedberg" <daron_freedberg@nih.gov>
• Gamess: GAMESS: VSCF calculations
  • From: Kurt Glaesemann <kurt@si.fi.ameslab.gov>
• Gamess: Re: GAMESS + Lanthanide series
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Gamess: Bond order pop. analysis for semiempirical?
  • From: Karl Irikura <karl.irikura@nist.gov>
• Re: Gamess: Bond order pop. analysis for semiempirical?
  • From: "Pogrebnyak, Andrey" <pgfa@megalog.ru>
• Gamess: inquiry
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Re: Gamess: inquiry
  • From: gas_5x <gas_5x@mail.ru>
• Gamess: heat of formation
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Re: Gamess: heat of formation
  • From: ahti.koski.b@bayer.com
• Re: Gamess: heat of formation
  • From: Hermes Fernandes de Souza <hermesfs@cenapad.unicamp.br>
• Re: Gamess: heat of formation
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: heat of formation
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Re: Gamess: heat of formation
  • From: che516@abdn.ac.uk
• Re[2]: Gamess: heat of formation
  • From: gas_5x <gas_5x@mail.ru>
• [no subject]
  • From: "Daron I. Freedberg" <daron_freedberg@nih.gov>
• Gamess: truncated message
  • From: "Daron I. Freedberg" <daron_freedberg@nih.gov>
• Re: Gamess: GAMESS: VSCF calculations
  • From: "Daron I. Freedberg" <daron_freedberg@nih.gov>
• Gamess: Hessian of Lanthanide complexes
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• Re: Gamess: Hessian of Lanthanide complexes
  • From: Gerry Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: too many iterations in CPHF
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Re: Gamess: too many iterations in CPHF
  • From: Alex. A. Granovsky <gran@classic.chem.msu.su>
• Re: Gamess: too many iterations in CPHF
  • From: BOUYER Frédéric 153746 <BOUYERF@grignan.cea.fr>
• Re: Gamess: too many iterations in CPHF
  • From: BOUYER Frédéric 153746 <BOUYERF@GRIGNAN.CEA.FR>
• Gamess: Summary: Too many iterations in CPHF
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Gamess: Too many iterations in CPHF
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: MPI and gamess
  • From: "Ole W. Saastad" <ole@scali.no>
• Gamess: Freezing Coordinates in Optimizations
  • From: "Eric C. Brown" <brown@dylan.chem.washington.edu>
• Gamess: Freezing Coordinates in Optimizations
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Gas Phase Model
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Re: Gamess: Gas Phase Model
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• Re: Gamess: Gas Phase Model
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• Gamess: Tinker module
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Gamess: MCSCF calcualtion under LINUX
  • From: WeiQuan Tian <wtian@uoguelph.ca>
• Re: Gamess: MCSCF calcualtion under LINUX
  • From: Gerry Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: MCSCF calcualtion under LINUX
  • From: Bryan H Kim <bhkim@eng.buffalo.edu>
• Gamess: Hessian with MCSCF
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Re: Gamess: Hessian with MCSCF
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: ISTSYM=2 (was: Hessian with MCSCF)
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Re: Gamess: ISTSYM=2 (was: Hessian with MCSCF)
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• Re: Gamess: ISTSYM=2 (was: Hessian with MCSCF)
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Gamess: Natural coordinates + Symmetry matrix (i.e. S(ij))
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• Re: Gamess: Re: GAMESS + Lanthanide series
  • From: "Rolfe G. Petschek" <rgp@po.cwru.edu>
• Gamess: Gamess on IBM-SP2
  • From: Matthew Asplund <matthew_asplund@byu.edu>
• Gamess: Gamess, coordinate system, and symettry problems
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Re: Gamess: Gamess, coordinate system, and symettry problems
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Gamess: unit for electric field
  • From: Masakazu Nakamura <m.nakamura@post.email.ne.jp>
• Gamess: the linear bend blues
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Gamess: fails to run the tests (open failed on a file but which one?)
  • From: dule <mduksi@hpd.botanic.hr>
• Gamess: Selection of basis set
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Re: Gamess: Selection of basis set
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: Selection of basis set
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: Selection of basis set
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Re: Gamess: Selection of basis set
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Re: Gamess: Selection of basis set
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Gamess: ghost atoms (again)
  • From: Frank Wennmohs <frankw@bph.ruhr-uni-bochum.de>
• Re: Gamess: ghost atoms (again)
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: ghost atoms (again)
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: ghost atoms (again)
  • From: Frank Wennmohs <frankw@bph.ruhr-uni-bochum.de>
• Gamess: Coordinate frame in GAMESS
  • From: "M.S.Sulatha" <sulatha@poly.ncl.res.in>
• Thanks for your input; now a question about output Was: Gamess: Selection of basis set
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Re: Thanks for your input; now a question about output Was: Gamess: Selection of basis set
  • From: "Jim Kress" <kresslists@kressworks.com>
• Re: Gamess: Coordinate frame in GAMESS
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: Coordinate frame in GAMESS
  • From: "M.S.Sulatha" <sulatha@poly.ncl.res.in>
• Gamess: confused about sign of CI coefficients (re NPRT=2)
  • From: Karl Irikura <karl.irikura@nist.gov>
• Re: Gamess: confused about sign of CI coefficients (re NPRT=2)
  • From: "Eric C.Brown" <brown@dylan.chem.washington.edu>
• Gamess: floating-point arithmetic exceptions
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• RE: Gamess: floating-point arithmetic exceptions
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• Re: Gamess: floating-point arithmetic exceptions
  • From: "Gregory Shamov" <gas_5x@mail.ru>
• RE: Gamess: floating-point arithmetic exceptions
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• RE: Gamess: floating-point arithmetic exceptions
  • From: "Fanis Kalatzis" <me00260@cc.uoi.gr>
• Gamess: erratic output
  • From: "Rolando V. Bantaculo" <csm-rvb@mimbalut.msuiit.edu.ph>
• RE: Gamess: erratic output
  • From: "Slawomir Z. Janicki" <slawek@alchmist.scs.uiuc.edu>
• Gamess: external electric field
  • From: Masakazu Nakamura <m.nakamura@post.email.ne.jp>
• Gamess: Recent question about GAMESS and using GAMESS documentation
  • From: "Jim Kress" <kresslists@kressworks.com>
• Gamess: D7h SCF calculation
  • From: Gernot Katzer <Gernot.Katzer@kfunigraz.ac.at>
• Gamess: fails to run the tests (open failed on a file but which one?)
  • From: dule <mduksi@hpd.botanic.hr>
• RE: Gamess: Recent question about GAMESS and using GAMESS documen tation
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• RE: Gamess: Recent question about GAMESS and using GAMESS documen tation
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Gamess: INP file for MCSCF
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Re: Gamess: INP file for MCSCF
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Where Are The Results?
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Gamess: Polarizability calculation
  • From: "M.S.Sulatha" <sulatha@poly.ncl.res.in>
• Re: Gamess: Polarizability calculation
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: Polarizability calculation
  • From: "M.S.Sulatha" <sulatha@poly.ncl.res.in>
• Gamess: MP2 wavefunction from GAMESS
  • From: "Anatoliy V. Volkov" <volkov@chem.buffalo.edu>
• Re: Gamess: MP2 wavefunction from GAMESS
  • From: "Petar M. Mitrasinovic" <pmitrasi@chemmail.chem.fsu.edu>
• Re: Gamess: MP2 wavefunction from GAMESS
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: Gamess: MP2 wavefunction from GAMESS
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Max # basis func. on PCM
  • From: Jose Luis Carreon Macedo <joseluis@eros.pquim.unam.mx>
• Gamess: stepwise coordinates
  • From: Gary <strahan@outerbanks.umaryland.edu>
• Gamess: stepwise coordinates
  • From: d.court@mdx.ac.uk
• Gamess: charge fitting methods
  • From: Jones de Andrade <johannes@dalton.iq.ufrgs.br>
• Gamess: charge fitting methods
  • From: d.court@mdx.ac.uk
• Gamess: Problem with Linux
  • From: Alexander Martins <alex.msilva@uol.com.br>
• Re: Gamess: Problem with Linux
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: charge fitting methods
  • From: "Dr. Anne-Marie Kelterer" <kelterer@ptc.tu-graz.ac.at>
• Gamess: Trouble Optimizing
  • From: Gary <strahan@outerbanks.umaryland.edu>
• Gamess: DFT B3LYP ?
  • From: Gary <strahan@outerbanks.umaryland.edu>
• Gamess: BSSE Superposition error
  • From: Beata Paluchowska <bpaluchowska@merinosoft.com.pl>
• Re: Gamess: BSSE Superposition error
  • From: Jens Schamberger <schambrg@chem.usyd.edu.au>
• Re: Gamess: BSSE Superposition error
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Gamess: Portland compiler on linux
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Gamess: normal modes
  • From: "Sonja M. Schwarzl" <sonja.schwarzl@iwr.uni-heidelberg.de>
• Re: Gamess: normal modes
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• Gamess: ESP Grid Problem
  • From: Jones de Andrade <johannes@dalton.iq.ufrgs.br>
• Gamess: PC GAMESS & DFT
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• Gamess: just a try
  • From: Hubert klein <klein@gpec.univ-mrs.fr>
• Re: Gamess: BSSE Superposition error
  • From: Beata Paluchowska <bpaluchowska@merinosoft.com.pl>
• Gamess: problems running gamess under linux
  • From: Hubert klein <klein@gpec.univ-mrs.fr>
• Gamess: AmberFFC version 1.2
  • From: Francois Dupradeau <fyd@u-picardie.fr>
• Gamess: Unable to generate principal axes -- why?
  • From: Gernot Katzer <gernot.katzer@kfunigraz.ac.at>
• Gamess: ESP Grid Units in the Punch File...
  • From: Jones de Andrade <johannes@dalton.iq.ufrgs.br>
• Gamess: will gamess run under SGI's f90?
  • From: Andy Cooksy <acooksy@sciences.sdsu.edu>
• Re: Gamess: will gamess run under SGI's f90?
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Gamess: B3LYP parameters for similar energies in GAMESS and Gaussian 98
  • From: Eric Brown <brown@dylan.chem.washington.edu>
• Gamess: Normal modes
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• Re: Gamess: Normal modes
  • From: Tadeusz Wasiutynski <tadeusz.wasiutynski@ifj.edu.pl>
• Gamess: PCM Parameters for Mg?
  • From: "Sonja M. Schwarzl" <sonja.schwarzl@iwr.uni-heidelberg.de>
• Gamess: Using Portland Compiler with linux.
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: Using Portland Compiler with linux.
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: PCM Parameters for Mg?
  • From: Jose Luis Carreon Macedo <joseluis@eros.pquim.unam.mx>
• Gamess: Gamess and UltraSparc problems
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Re: Gamess: Gamess and UltraSparc problems
  • From: Gary <strahan@outerbanks.umaryland.edu>
• Re: Gamess: Gamess and UltraSparc problems
  • From: Eugene Leitl <Eugene.Leitl@lrz.uni-muenchen.de>
• Re: Gamess: INP file for MCSCF
  • From: Jorge Luis LLanio Trujillo <jolla@ci.uc.pt>
• Re: Gamess: INP file for MCSCF
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Security Problem
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Re: Gamess: Security Problem
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Fwd: Re: Gamess: Security Problem
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Gamess: Optimization with frozen coordinates
  • From: Gernot Katzer <gernot.katzer@kfunigraz.ac.at>
• Gamess: CSF Occupation Number
  • From: sasha@okra.cchem.Berkeley.edu
• Re: Gamess: CSF Occupation Number
  • From: Eric Brown <brown@dylan.chem.washington.edu>
• Gamess: CSF coefficients in GAMESS
  • From: sasha@okra.cchem.Berkeley.edu
• Gamess: hello GAMESS users
  • From: Pascual <pascual@chem.nwu.edu>
• Re: Gamess: hello GAMESS users
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Re: Gamess: CSF coefficients in GAMESS
  • From: Eric Brown <brown@dylan.chem.washington.edu>
• Re: Gamess: hello GAMESS users
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: will gamess run under SGI's f90?
  • From: Norman Troullier <troullie@sgi.com>
• Gamess: Re: The Natural Internal Coordinates.
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• Re: Gamess: Re: The Natural Internal Coordinates.
  • From: Aldo Jongejan <jongejan@chem.vu.nl>
• Gamess: Problem with SCF convergence
  • From: "De Vito David (DIP)" <david.devito@etat.ge.ch>
• Re: Gamess: Problem with SCF convergence
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Gamess: Gamess and DFT?
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Gamess: Troubles compiling gamess on an UltraSparc
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Re: Gamess: Gamess and DFT?
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• Re: Gamess: Gamess and DFT?
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Gamess: How many steps in constrained optimization in IRC?
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Re: Gamess: Gamess and DFT?
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: How many steps in constrained optimization in IRC?
  • From: Frank Jensen <frj@dou.dk>
• Gamess: CI COMPUTATION DID NOT CONVERGE, JOB CANNOT CONTINUE
  • From: Jorge Luis LLanio Trujillo <jolla@ci.uc.pt>
• Re: Gamess: CI COMPUTATION DID NOT CONVERGE, JOB CANNOT CONTINUE
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• Re: Gamess: CI COMPUTATION DID NOT CONVERGE, JOB CANNOT CONTINUE
  • From: Jorge Luis LLanio Trujillo <jolla@ci.uc.pt>
• Re: Gamess: CI COMPUTATION DID NOT CONVERGE, JOB CANNOT CONTINUE
  • From: Gary Bent <gbent@uconnvm.uconn.edu>
• Gamess: Force matrix
  • From: Jorge Luis LLanio Trujillo <jolla@ci.uc.pt>
• Re: Gamess: Force matrix
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Gamess: Changing the basis set for vectors
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Gamess: Exponents/contraction coefficients
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Never mind!
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Exponents/contraction coefficients
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Gamess: Exponents/contraction coefficients
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: B matrix
  • From: Jorge Luis LLanio Trujillo <jolla@ci.uc.pt>
• Gamess: Linux Gamess chokes on SCF I/O.
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Gamess: Linux Gamess chokes on SCF I/O.
  • From: d.court@mdx.ac.uk
• Re: Gamess: Linux Gamess chokes on SCF I/O.
  • From: Gary <strahan@outerbanks.umaryland.edu>
• Re: Gamess: Linux Gamess chokes on SCF I/O.
  • From: Gary <strahan@outerbanks.umaryland.edu>
• Re: Gamess: Linux Gamess chokes on SCF I/O.
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Re: Gamess: Linux Gamess chokes on SCF I/O.
  • From: Bjoern Pedersen <Bjoern.Pedersen@ch.tum.de>
• Gamess: problems running the test-examples
  • From: Diana Nanu <D.E.Nanu@tnw.tudelft.nl>
• Gamess: help
  • From: NMR Facility <nmr@ems.ncl.res.in>
• Gamess: $VEC in OPTIMIZE
  • From: "Nigel W. Moriarty" <NWMoriarty@lbl.gov>
• Gamess: performing very large CISD calcs on GAMESS
  • From: Robert Hinde <rhinde@utk.edu>
• Gamess: Summary: What is a reasonable length of time for a DFT geometry o ptimization?
  • From: "Thoms, Travis" <TThoms@cra.canon.com>
• Gamess: solvation model
  • From: Francois Dupradeau <fyd@u-picardie.fr>
• Gamess: SPIN-ORBIT CALCULATIONS
  • From: Corey J Evans <cjevan2@uky.edu>
• Gamess: DFT and solvation models in GAMESS
  • From: Diana Nanu <D.E.Nanu@tnw.tudelft.nl>
• Gamess: GAMESS && cc-pVDZ basis problem
  • From: Mariusz Sterzel <sterzel@chemia.uj.edu.pl>
• Gamess: running GAMESS on SGI OCTANE R12000
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Gamess: guess density matrix...
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Gamess: Compiling with Intel Fortran Compiler on Linux...
  • From: Pawel Dziekonski <P.Dziekonski@mml.ch.pwr.wroc.pl>
• Gamess: spin-orbit calculations in GAMESS
  • From: Irina Novozhilova <chem9988@acsu.buffalo.edu>
• Re: Gamess: Compiling with Intel Fortran Compiler on Linux...
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: Compiling with Intel Fortran Compiler on Linux...
  • From: ggallup@aloha.unl.edu
• Re: Gamess: Compiling with Intel Fortran Compiler on Linux...
  • From: Pawel Dziekonski <P.Dziekonski@mml.ch.pwr.wroc.pl>
• Gamess: trouble running gamess on IRIX
  • From: "L. Eric Greenwade" <leg@inel.gov>
• Gamess: Wierd GAMESS Error
  • From: "Laurence Wood" <LaurenceWood@sunyatasystems.com>
• RE: Gamess: Wierd GAMESS Error
  • From: "Laurence Wood" <LaurenceWood@sunyatasystems.com>
• Gamess: Wierd GAMESS Error
  • From: d.court@mdx.ac.uk
• Gamess: Mysterious GAMESS Problem...
  • From: "Laurence Wood" <LaurenceWood@sunyatasystems.com>
• Re: Gamess: Mysterious GAMESS Problem...
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• RE: Gamess: Mysterious GAMESS Problem...
  • From: "Laurence Wood" <LaurenceWood@sunyatasystems.com>
• Gamess: Open shell MP2
  • From: mariangela <margy@lory.chem.unisa.it>
• Gamess: unexpected end of file
  • From: Kenward Vaughan <kaynjay@igalaxy.net>
• Re: Gamess: unexpected end of file
  • From: Bjoern Pedersen <Bjoern.Pedersen@ch.tum.de>
• Re: Gamess: unexpected end of file
  • From: Kenward Vaughan <kaynjay@igalaxy.net>
• Gamess: tough NH3 conformation
  • From: Pascual <pascual@chem.nwu.edu>
• Re: Gamess: tough NH3 conformation
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: unexpected end of file
  • From: "Gregory Shamov" <gas_5x@mail.ru>
• Gamess: $FORCE group
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: $FORCE group
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Gamess: Mulliken or Lowdin?
  • From: bossi@ipvgen.unipv.it
• Gamess: Problem linking GAMESS Parallel on Sun Cluster
  • From: "Mark Zottola - Contractor" <mzottola@arl.army.mil>
• Gamess: GAMESS running on dual processor machine
  • From: Igor Pugliesi <ip101@york.ac.uk>
• Re: Gamess: Mulliken or Lowdin?
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Gamess: Advise please
  • From: Biswajit Maiti <bisu@chem.nwu.edu>
• Gamess: Eigenbasis projection
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Eigenbasis projection
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Re: Gamess: Eigenbasis projection
  • From: Frank Jensen <frj@dou.dk>
• Gamess: GAMESS Compilation
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: GAMESS Compilation
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Gamess: Re: GAMESS Compilation
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Re: GAMESS Compilation
  • From: "Gregory Shamov" <gas_5x@mail.ru>
• [no subject]
  • From: Iryna <iryna@theory.phys.ucl.ac.uk>
• Gamess: Solvation model and dG
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Solvation model and dG
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: High symmetries
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: High symmetries
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Fwd: Gamess: High symmetries
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Compile problem: lked, collect2 fails.
  • From: Robert Williams <bob@bob.usuhs.mil>
• Re: Gamess: Compile problem: lked, collect2 fails.
  • From: Pawel Dziekonski <P.Dziekonski@mml.ch.pwr.wroc.pl>
• Re: Fwd: Gamess: High symmetries
  • From: Dule <mduksi@hpd.botanic.hr>
• Re: Gamess: Compile problem: lked, collect2 fails.
  • From: Robert Williams <bob@bob.usuhs.mil>
• Gamess: Crystals and such: force/frequency calculations
  • From: Robert Williams <bob@bob.usuhs.mil>
• Re: Fwd: Gamess: High symmetries
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Fwd: Gamess: High symmetries
  • From: Dule <mduksi@hpd.botanic.hr>
• Gamess: Compiling Gamess on SuSE 7.2
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• Gamess: PC-Gamess and external basis set
  • From: ???? ????????? <falagara@terpsi.iceht.forth.gr>
• Re: Gamess: PC-Gamess and external basis set
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: PC-Gamess and external basis set
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: PC-Gamess and external basis set
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: PC-Gamess and external basis set
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: PC-Gamess and external basis set
  • From: Brian Salter-Duke <b_duke@lacebark.ntu.edu.au>
• Re: Gamess: PC-Gamess and external basis set
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• Gamess: Configuration on twin processor linux box?
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Configuration on twin processor linux box?
  • From: Ben Webb <ben@bellatrix.pcl.ox.ac.uk>
• Gamess: Problems with convergence using G98-orbitals in GAMESS
  • From: Heribert Reis <hreis@eie.gr>
• Gamess: Benchmarking tests ?
  • From: "Prasad KM" <kmprasad333@rediffmail.com>
• Gamess: Ghost-Atoms and Huckel-Guess
  • From: Michael Patzschke <michaelp@chemie.fu-berlin.de>
• Gamess: compilling GAMESS
  • From: Fran Muñoz <fmunoz@icv.csic.es>
• Re: Gamess: compilling GAMESS
  • From: "Bruce F. Milne" <b.milne@rri.sari.ac.uk>
• Re: Gamess: Problems with convergence using G98-orbitals in GAMESS
  • From: Heribert Reis <hreis@eie.gr>
• Gamess: Compilation of GAMESS on Alpha
  • From: FyD <fyd@u-picardie.fr>
• Gamess: Regarding abnornal termination of job
  • From: "M. K.Singh" <manoks@cat.ernet.in>
• Gamess: executing problems
  • From: Fran Muñoz <fmunoz@icv.csic.es>
• Re: Gamess: Regarding abnornal termination of job
  • From: "Andrew V.Bochkarev" <bochkar@aha.ru>
• Re: Gamess: Regarding abnornal termination of job
  • From: "Jim Kress" <kresslists@kressworks.com>
• Re: Gamess: Regarding abnornal termination of job
  • From: "Villa, Jordi" <jvilla@imim.es>
• Re: Gamess: Regarding abnornal termination of job
  • From: Ljupco Pejov <ljupcop@iunona.pmf.ukim.edu.mk>
• Re: Gamess: Regarding abnornal termination of job
  • From: "M. K.Singh" <manoks@cat.ernet.in>
• Re: Gamess: Regarding abnornal termination of job
  • From: "Bruce F. Milne" <b.milne@rri.sari.ac.uk>
• Gamess: from Maksym Volobuyev
  • From: Maxim Volobuyev <maxim@as.arizona.edu>
• Gamess: VSCF question
  • From: "Andrea G. Alparone" <agalparone@dipchi.unict.it>
• Gamess: AMBER-type of charges
  • From: Osmar Norberto de Souza <osmarns@inf.pucrs.br>
• Gamess: gamess compilation
  • From: Himanshu <himanpbs@iitr.ernet.in>
• Re: Gamess: gamess compilation
  • From: Olga Falagara <falagara@terpsi.iceht.forth.gr>
• Gamess: VSCF question
  • From: "Andrea G. Alparone" <agalparone@dipchi.unict.it>
• Gamess: Memory problem
  • From: Francois Dupradeau <fyd@u-picardie.fr>
• Re: Gamess: Memory problem
  • From: Pawel Dziekonski <P.Dziekonski@mml.ch.pwr.wroc.pl>
• Re: Gamess: Memory problem
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Memory problem
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Memory problem on Alpha
  • From: Francois Dupradeau <fyd@u-picardie.fr>
• Re: Gamess: Memory problem on Alpha
  • From: Pawel Dziekonski <P.Dziekonski@mml.ch.pwr.wroc.pl>
• Gamess: optimization by using an external basis set
  • From: "Andrea G. Alparone" <agalparone@dipchi.unict.it>
• Re: Gamess: optimization by using an external basis set
  • From: Olga Falagara <falagara@terpsi.iceht.forth.gr>
• Re: Gamess: optimization by using an external basis set
  • From: Haydée Valdés González <hvg@correo.uniovi.es>
• Re: Gamess: optimization by using an external basis set
  • From: "Jim Kress" <kresslists@kressworks.com>
• Gamess: Computer crash...GAMESS e-mails.
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• Re: Gamess: Computer crash...GAMESS e-mails.
  • From: Bryan Putnam <bfp@purdue.edu>
• Re: Gamess: Computer crash...GAMESS e-mails.
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• Re: Gamess: Computer crash...GAMESS e-mails.
  • From: Bryan Putnam <bfp@purdue.edu>
• Gamess: Number of vertices in PCM
  • From: Heribert Reis <hreis@eie.gr>
• Gamess: GAMESS on Mac OSX
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: GAMESS on Mac OSX
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: GAMESS on Mac OSX
  • From: "Fco. Javier Modrego" <modrego@posta.unizar.es>
• Gamess: Gamess Compilation on Sun
  • From: "Fco. Javier Modrego" <modrego@posta.unizar.es>
• Gamess: Gamess on OSX
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: UNABLE TO GENERATE PRINCIPAL AXES.
  • From: Andrey Elagin <avelagin@mtu-net.ru>
• Gamess: UNABLE TO GENERATE PRINCIPAL AXES.
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Transition moment calculation bug?
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• Gamess: MO integrals
  • From: Jörg Rissler <rissler@mailer.uni-marburg.de>
• Gamess: RUNNING EXAMPLES...
  • From: Himanshu <himanpbs@iitr.ernet.in>
• [no subject]
  • From: Iryna <iryna@theory.phys.ucl.ac.uk>
• Re: Gamess: RUNNING EXAMPLES...
  • From: Dule <mduksi@hpd.botanic.hr>
• Gamess: Re: The NATINC program, i.e. Natural Internal Coordinates.
  • From: "Victor Benham, Ph.D." <cw400@freenet.carleton.ca>
• Re: Gamess: Re: The NATINC program, i.e. Natural Internal Coordinates.
  • From: Bjoern Pedersen <Bjoern.Pedersen@ch.tum.de>
• Re: Gamess: Re: The NATINC program, i.e. Natural Internal Coordinates.
  • From: "Jim Kress" <kresslists@kressworks.com>
• Gamess: semi-empirical parameters
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: Relaxed PES scan with GAMESS
  • From: "Gregory Shamov" <gas_5x@mail.ru>
• Re: Gamess: Relaxed PES scan with GAMESS
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: semi-empirical parameters
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: semi-empirical parameters
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: semi-empirical parameters
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Gamess: Running Gamess on SP3
  • From: Paresh Jadhav <jadhav@wombat.eng.fsu.edu>
• Gamess: Optimization problem
  • From: FyD <fyd@u-picardie.fr>
• Gamess: Question about ACTVTE.code
  • From: David Grant <dgrant@dwavesys.com>
• Re: Gamess: Question about ACTVTE.code
  • From: David Grant <dgrant@dwavesys.com>
• Re: Gamess: Question about ACTVTE.code
  • From: Vyacheslav Sokolov <vence@status.comcor.ru>
• Re: Gamess: Question about ACTVTE.code
  • From: David Grant <dgrant@dwavesys.com>
• [Fwd: Re: Gamess: Question about ACTVTE.code]
  • From: David Grant <dgrant@dwavesys.com>
• Gamess: Hilderbrandt internals
  • From: Michael Patzschke <michaelp@chemie.fu-berlin.de>
• Gamess: Reading contents of MOINTS
  • From: David Grant <dgrant@dwavesys.com>
• Gamess: Packing error
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Gamess: EFP calculation
  • From: "Michael Tallhamer" <tallhamer@hotmail.com>
• Gamess: [Fwd: Reading contents of MOINTS]
  • From: David Grant <dgrant@dwavesys.com>
• Gamess: Help with Symmetry
  • From: Mark Zottola - Contractor <mzottola@arl.army.mil>
• Re: Gamess: Help with Symmetry
  • From: "Jim Kress" <kresslists@kressworks.com>
• Gamess: Fw: High symmetries and CSGamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Help with Symmetry
  • From: Gernot Katzer <gernot.katzer@kfunigraz.ac.at>
• Gamess: [Fwd: Re: integral file]
  • From: David Grant <dgrant@dwavesys.com>
• Gamess: [Fwd: [Fwd: Re: integral file]]
  • From: David Grant <dgrant@dwavesys.com>
• Gamess: QMView
  • From: David Grant <dgrant@dwavesys.com>
• Re: Gamess: QMView
  • From: "Gert Everaert" <gever@ruca.ua.ac.be>
• Gamess: larger dimensions in gamess fail
  • From: Robert Williams <bob@bob.usuhs.mil>
• Gamess: Multipole moments with GAMESS
  • From: Michael Patzschke <michaelp@chemie.fu-berlin.de>
• [no subject]
  • From: mariangela <margy@lory.chem.unisa.it>
• Gamess: Re:
  • From: Vyacheslav Sokolov <vence@status.comcor.ru>
• Gamess: Disable spin-orbit coupling
  • From: David Grant <dgrant@dwavesys.com>
• Re: Gamess: Disable spin-orbit coupling
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Gamess: QM/MM calculations
  • From: Valentin Gogonea <v.gogonea@csuohio.edu>
• Gamess: Gamess/Scyld
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: file size
  • From: "George Papamokos" <me00109@cc.uoi.gr>
• Gamess: negative ion doublets
  • From: Sudhakar Pamidighantam <spamidig@ncsa.uiuc.edu>
• Re: Gamess: file size
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: negative ion doublets
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: file size
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: file size
  • From: Udvardi Laszlo <udvardi@bolyai.phy.bme.hu>
• Gamess: Basis set ordering
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Eigenvector conversion
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: linear dependence cutoff in PCGAMESS
  • From: Yuthana Tantirungrotechai <scytt@mahidol.ac.th>
• Re: Gamess: linear dependence cutoff in PCGAMESS
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Gamess: Geometry search problem
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: Geometry search problem
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: Gamess: Geometry search problem
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Geometry search problem
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: MPI under Linux.
  • From: Chris Worley <cworley@symbionsys.com>
• Gamess: On more than 10 nodes: "*** ERROR TERMINATION *** IN DATA SERVER PROCESS" right after "SINGLE POINT ENERGY AND GRADIENT"
  • From: Chris Worley <cworley@symbionsys.com>
• Gamess: No 2GB limit since which version?
  • From: Florian Dufey <dufey@jupiter.t30.physik.tu-muenchen.de>
• Re: Gamess: On more than 10 nodes: "*** ERROR TERMINATION *** IN DATA SERVER PROCESS" right after "SINGLE POINT ENERGY AND GRADIENT"
  • From: Chris Worley <cworley@symbionsys.com>
• Gamess: Problems compiling GAMESS with pgf77
  • From: Matthias Mann <Matthias.Mann@chemie.tu-dresden.de>
• Re: Gamess: Problems compiling GAMESS with pgf77
  • From: Chris Worley <cworley@symbionsys.com>
• Re: Gamess: Problems compiling GAMESS with pgf77
  • From: Guillermo Moyna <g.moyna@usip.edu>
• Re: Gamess: Problems compiling GAMESS with pgf77
  • From: Matthias Mann <Matthias.Mann@chemie.tu-dresden.de>
• Gamess: GAMESS termination
  • From: Jose Javier Cuadrado <jcuasan@alumni.unav.es>
• Re: Gamess: GAMESS termination
  • From: kcousins@csusb.edu
• Re: Gamess: GAMESS termination
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Gamess: TDHF with spherical basis + integral-direct
  • From: Heribert Reis <hreis@eie.gr>
• Re: Gamess: TDHF with spherical basis + integral-direct
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Re: Gamess: TDHF with spherical basis + integral-direct
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: LFS in g77
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• Gamess: Restarting
  • From: "Nuno A. G. Bandeira" <pcl41811@alfa.ist.utl.pt>
• Gamess: Lanthanides + Basis sets.
  • From: "V.Benham" <cw400@freenet.carleton.ca>
• Re: Gamess: Lanthanides + Basis sets.
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Bug (Feature?) in Direct MCSCF
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Bug (Feature?) in Direct MCSCF
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: Gamess: Bug (Feature?) in Direct MCSCF
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Bug (Feature?) in Direct MCSCF
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Bug (Feature?) in Direct MCSCF
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: Gamess: Lanthanides + Basis sets-error in example.
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: Lanthanides + Basis sets-error in example.
  • From: "Jim Kress" <kresslists@kressworks.com>
• Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: Karl Irikura <karl.irikura@nist.gov>
• Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: d.court@mdx.ac.uk
• Re: Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: Karl Irikura <karl.irikura@nist.gov>
• Re: Gamess: Lanthanides + Basis sets-example.
  • From: Timothy Corcoran <corcoran@squ.edu.om>
• Re: Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Re: Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: d.court@mdx.ac.uk
• Gamess: regarding nbo program
  • From: parveen <chemdyn@pu.ac.in>
• Re: Gamess: regarding nbo program
  • From: Gernot Katzer <gernot.katzer@kfunigraz.ac.at>
• Gamess: GAMESS: natural orbitals from MCQDPT2?
  • From: Karl Irikura <karl.irikura@nist.gov>
• Gamess: GAMESS: natural orbitals from MCQDPT2?
  • From: d.court@mdx.ac.uk
• Re: Gamess: GAMESS: number of states in MCQDPT2 ?
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Installing GAMESS on IBM P690
  • From: Jyh-Shyong Ho <c00jsh00@nchc.gov.tw>
• Gamess: GAMESS on IBM P690
  • From: Jyh-Shyong Ho <c00jsh00@nchc.gov.tw>
• Re: Gamess: GAMESS on IBM P690
  • From: "Angelo R. Rossi" <rossi@watson.ibm.com>
• [no subject]
  • From: FyD <fyd@u-picardie.fr>
• Gamess: Frequency Scaling Factors.
  • From: "V.Benham" <cw400@freenet.carleton.ca>
• Gamess: Frequency Scaling Factors.
  • From: d.court@mdx.ac.uk
• Gamess: Scaling frequencies
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: overcominfg 2Gb file size limit
  • From: Francoise Rogalewicz <fra@dcmr.polytechnique.fr>
• Gamess: geometry optimization of a five membered ring
  • From: Francoise Rogalewicz <fra@dcmr.polytechnique.fr>
• Re: Gamess: geometry optimization of a five membered ring
  • From: Kimberley Cousins <kcousins@csusb.edu>
• Re: Gamess: geometry optimization of a five membered ring
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Error message
  • From: FyD <fyd@u-picardie.fr>
• Gamess: Polarization and diffuse functions
  • From: "Nuno A. G. Bandeira" <pcl41811@alfa.ist.utl.pt>
• Re: Gamess: Polarization and diffuse functions
  • From: Rudolf Herrmann <herrmann@itqb.unl.pt>
• Gamess: GAMESS/Gaussian interface.
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: GAMESS/Gaussian interface.
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: GAMESS/Gaussian interface.
  • From: "Nuno A. G. Bandeira" <pcl41811@alfa.ist.utl.pt>
• Re: Gamess: GAMESS/Gaussian interface.
  • From: Heribert Reis <hreis@eie.gr>
• Gamess: Off Topic: Gaussian98w
  • From: "Nuno A. G. Bandeira" <pcl41811@alfa.ist.utl.pt>
• Gamess: [Fwd: ]
  • From: Florian Dufey <Florian_Dufey@Physik.TU-Muenchen.DE>
• Re: Gamess: GAMESS/Gaussian interface.
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: memory setting
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Gamess: GAMESS: SCF convergence
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: GAMESS: SCF convergence
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: GAMESS: SCF convergence
  • From: "VCalvoPerez Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: GAMESS: SCF convergence
  • From: FyD <fyd@u-picardie.fr>
• Gamess:normalisation
  • From: Matt Watkins <matthew.watkins@kcl.ac.uk>
• Gamess: Unique atoms & high symmetries.
  • From: "V.Benham" <cw400@ncf.carleton.ca>
• Re: Gamess: Unique atoms & high symmetries.
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: Gamess UV-vis
  • From: "Julio A. Seijas" <qoseijas@lugo.usc.es>
• Gamess: PC GAMESS
  • From: <danielo@chemistry.leeds.ac.uk>
• Re: Gamess: PC GAMESS
  • From: Dmitry Kovalsky <dikov@imbg.org.ua>
• Re: Gamess: PC GAMESS
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: PC GAMESS
  • From: Dmitry Kovalsky <dikov@imbg.org.ua>
• Re: Gamess: PC GAMESS
  • From: Daniel Ormsby <danielo@chemistry.leeds.ac.uk>
• Re: Gamess: PC GAMESS
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: Best way to fix parameters
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Gamess: spectroscopic term
  • From: "angelo.maniero" <angelo.maniero@uol.com.br>
• Re: Gamess: spectroscopic term
  • From: Victor Lua~na Cabal <victor@fluor.quimica.uniovi.es>
• Gamess: ECP basis sets for heavy metals
  • From: "Rolfe G. Petschek" <rolfe-petschek@po.cwru.edu>
• Gamess: Compilation under SGI r5000
  • From: FyD <fyd@u-picardie.fr>
• Gamess: MP2 with Windows
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: few questions
  • From: Dmitry Kovalsky <dikov@imbg.org.ua>
• Gamess: constraints with DLC
  • From: Dmitry Kovalsky <dikov@imbg.org.ua>
• Gamess: constraints with DLC
  • From: Dmitry Kovalsky <dikov@imbg.org.ua>
• Gamess: GAMESS: pgi compilation
  • From: FyD <fyd@u-picardie.fr>
• Gamess: Off-topic - Prof. Pejov
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Off-topic - Prof. Pejov
  • From: "Minh Tung" <tung092@chemdep.hcmuns.edu.vn>
• Gamess: Lanthanide ECP/Basis set
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Lanthanide ECP/Basis set
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: Gamess: Lanthanide ECP/Basis set
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Lanthanide ECP/Basis set
  • From: Cory Pye <cpye@crux.stmarys.ca>
• Re: Gamess: Lanthanide ECP/Basis set
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: basis sets on data group
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: basis sets on data group
  • From: The Matt <thompsma@colorado.edu>
• Re: Gamess: basis sets on data group
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: basis sets on data group
  • From: The Matt <thompsma@colorado.edu>
• Re: Gamess: basis sets on data group
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: RedHat 8.0 g77 compilation
  • From: Anne-Marie Kelterer <kelterer@tugraz.at>
• Gamess: GAMESS: mysterious error
  • From: Karl Irikura <karl.irikura@nist.gov>
• Gamess: DDIKICK and PBSPro
  • From: Aldo Jongejan <jongejan@chem.vu.nl>
• Gamess: DDIKICK and PBSPro - 2
  • From: Aldo Jongejan <jongejan@chem.vu.nl>
• Gamess: problem with stationary point
  • From: "Marek Drozd" <drozd@int.pan.wroc.pl>
• Re: Gamess: problem with stationary point
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: relativistic corrections
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: problem with stationary point
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: relativistic corrections
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: ddikick segfault in Linux
  • From: "Thomas R. Burkholder" <trburkholder@attbi.com>
• Gamess: TS calculation
  • From: <sasha@okra.cchem.Berkeley.edu>
• Re: Gamess: TS calculation
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: single point vs optimization
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: single point vs optimization
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Question regarding IRC calculations
  • From: sasha@okra.cchem.Berkeley.edu
• Gamess: Error message
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Error message
  • From: Eugen Drosdow <Eugen.Drosdow@urz.uni-heidelberg.de>
• Re: Gamess: Error message
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Re: Gamess: Error message
  • From: Robert Zellmer <rzellmer@chemistry.ohio-state.edu>
• Re: Gamess: Error message
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Gamess: In Gamess you learn more from Error messages than...
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: Error message
  • From: FyD <fyd@u-picardie.fr>
• Gamess: compiling gamess for linux-alpha cluster (with fort,ccc)
  • From: Joshua Wilkie <wilkie@sfu.ca>
• Gamess: Amsterdamn Density Functional
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: SDD
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: PC GAMESS
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: Gamess: PC GAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Amsterdamn Density Functional
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: a probem with the PCM SPHERES
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• Re: Gamess: a probem with the PCM SPHERES
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: Gamess: a probem with the PCM SPHERES
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Gamess: efc compiler for Gamess on Itanium
  • From: Roberto Bianco <bianco@squire6.colorado.edu>
• Re: Gamess: efc compiler for Gamess on Itanium
  • From: The Matt <thompsma@colorado.edu>
• [no subject]
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: Re: your mail
  • From: Roberto Bianco <bianco@squire6.colorado.edu>
• Re: Gamess: Re: your mail
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: Compiling GAMESS under CygWin
  • From: "Jesus Orduna" <jorduna@posta.unizar.es>
• Re: Gamess: Compiling GAMESS under CygWin
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: Consistent requirements?
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: Gamess: Consistent requirements?
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• RE: Gamess: Consistent requirements?
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• RE: Gamess: Consistent requirements?
  • From: <smtp@fekete.mailshell.com>
• Gamess: Freezing coordinates
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: Freezing coordinates
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: Gamess: Freezing coordinates
  • From: berger@chem.helsinki.fi (Berger Raphael)
• Re: Gamess: Freezing coordinates
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Gamess: MR-MP2, numerical gradients
  • From: berger@chem.helsinki.fi (Berger Raphael)
• Re: Gamess: MR-MP2, numerical gradients
  • From: smtp@fekete.mailshell.com
• Re: Gamess: MR-MP2, numerical gradients
  • From: berger@chem.helsinki.fi (Berger Raphael)
• Gamess: Compiling GAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Compiling GAMESS
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: Gamess: MR-MP2, numerical gradients
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Re: Gamess: Compiling GAMESS
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Re: Gamess: MR-MP2, numerical gradients
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• Gamess: B3LYP/6-311++G**
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Re: Gamess: B3LYP/6-311++G**
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Re: Gamess: Compiling GAMESS
  • From: Ben Webb <ben@bellatrix.pcl.ox.ac.uk>
• Re: Gamess: Compiling GAMESS
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: Compiling GAMESS
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: Compiling GAMESS in cygwin
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: Gamess: Compiling GAMESS in cygwin
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Compiling GAMESS in cygwin
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: Gamess: Compiling GAMESS
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• Re: Gamess: Compiling GAMESS in cygwin
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Compiling GAMESS in cygwin
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Gamess: Gamess cygwin: correction
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: Gamess: Gamess cygwin: correction
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: MR-MP2, numerical gradients
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: B3LYP/6-311++G**
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: MP2
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Gamess: Spin density of CASSCF Wavefunction
  • From: Christian Neiß <christian.neiss@chemie.uni-regensburg.de>
• Gamess: Re: optimizing MP2
  • From: smtp@fekete.mailshell.com
• Gamess: Spherical Harmonics in pcGamess
  • From: smtp@fekete.mailshell.com
• Gamess: gamess under cygwin
  • From: "Jesus Orduna" <jorduna@posta.unizar.es>
• Re: Gamess: Spherical Harmonics in pcGamess
  • From: berger@chem.helsinki.fi (Berger Raphael)
• Gamess: HINT coordinates
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Re: Gamess: Spherical Harmonics in pcGamess
  • From: MATTHEW B WATKINS <matthew.watkins@kcl.ac.uk>
• Re: Gamess: HINT coordinates
  • From: Roberto Bianco <bianco@squire6.colorado.edu>
• Gamess: Interaction Energy calculation
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Gamess: GAMESS Installation Instructions for Linux
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [no subject]
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• Gamess: Linux file size (again)
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Hyperpolarizabilities using TDHF
  • From: "Timothy Corcoran" <corcoran@squ.edu.om>
• [no subject]
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Gamess: Installation of Gamess in compaq HPC system
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Gamess: KCl auger calculation
  • From: Hu Zhengfa <Hu.Zhengfa@oulu.fi>
• Re: Gamess: Linux file size (again)
  • From: Rocco <rocco.martinazzo@unimi.it>
• Re: Gamess: Hyperpolarizabilities using TDHF
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• Re: Gamess: Hyperpolarizabilities using TDHF
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Gamess: Installation of Gamess in compaq HPC system
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• [no subject]
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Gamess: Gamess large file example
  • From: Bryan Putnam <bfp@purdue.edu>
• Re: Gamess: Linux file size (again)
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: Re:ddikick: Trapped SIGCHLD: Unexpected termination of a child process.
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: Hyperpolarizabilities using TDHF
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: Spherical Harmonics in pcGamess
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Gamess: Re:
  • From: kcousins@csusb.edu
• Re: Gamess: Hyperpolarizabilities using TDHF
  • From: The Matt <thompsma@colorado.edu>
• Re: Gamess: Hyperpolarizabilities using TDHF
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: Gamess: Spherical Harmonics in pcGamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Hyperpolarizabilities using TDHF
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• Gamess: Date: Sat, 1 Mar 2003 21:16:38 +0300
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: Gamess: Date: Sat, 1 Mar 2003 21:16:38 +0300
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: Re:
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Date: Sat, 1 Mar 2003 21:16:38 +0300
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: KCl auger
  • From: Hu Zhengfa <Hu.Zhengfa@oulu.fi>
• Gamess: MC Basis Set & UMP2
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Re: Gamess: MC Basis Set & UMP2
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Re:
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Re:
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Re:
  • From: Eugen Leitl <eugen@leitl.org>
• Re: Gamess: Re:
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Re:
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• OFFTOPIC: Re: Gamess: Re:
  • From: Eugen Leitl <eugen@leitl.org>
• Re: Gamess:PS vs LINUX
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: >no tools available, despite cygwin.
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: >no tools available, despite cygwin.
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: OFFTOPIC: Re: Gamess: Re:
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: OFFTOPIC: Re: Gamess: Re:
  • From: Ted Packwood <malice@cray.com>
• Re: OFFTOPIC: Re: Gamess: Re:
  • From: Eugen Leitl <eugen@leitl.org>
• Re: OFFTOPIC: Re: Gamess: Re:
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: Linker problems
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Gamess under Cygwin Again
  • From: "Jesus Orduna" <jorduna@posta.unizar.es>
• Re: Gamess: Linker problems
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Gamess: Re: > your machine versus memory.
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: OFFTOPIC: Re: Gamess: Re:
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Gamess: Linux: limit of 2GB file size & PGI
  • From: FyD <fyd@u-picardie.fr>
• Re: Gamess: Linker problems
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: Gamess: Re: > your machine versus memory.
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: Gamess: Re: > your machine versus memory.
  • From: Victor Lua~na Cabal <victor@fluor.quimica.uniovi.es>
• Gamess: >In our Lab, we have our own 19-node Windows
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: Re: > your machine versus memory.
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: HOMO-LUMO help
  • From: "Lane Baker" <laneabaker@hotmail.com>
• Gamess: PC-Gamess and Wmpi1.3
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: Gamess: HOMO-LUMO help
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: What's that F?
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: check this input
  • From: "zhu" <hu.zhengfa@oulu.fi>
• Re: Gamess: check this input
  • From: MATTHEW B WATKINS <matthew.watkins@kcl.ac.uk>
• Gamess: 2 GB limit & PGI under linux
  • From: FyD <fyd@u-picardie.fr>
• RE: Gamess: 2 GB limit & PGI under linux
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• Re: Gamess: 2 GB limit & PGI under linux
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: Convergence anxiety
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• RE: Gamess: 2 GB limit & PGI under linux
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• RE: Gamess: 2 GB limit & PGI under linux
  • From: FyD <fyd@u-picardie.fr>
• Gamess: Gaussian basis sets
  • From: "Ian Love" <ilove@science.uz.ac.zw>
• RE: Gamess: Gaussian basis sets
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• RE: Gamess: Gaussian basis sets
  • From: smtp@fekete.mailshell.com
• Gamess: VSCF: inactive keywords? (and other questions)
  • From: Karl Irikura <karl.irikura@nist.gov>
• Gamess: How do you restart a
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: Gamess: How do you restart a
  • From: Eugen Drosdow <Eugen.Drosdow@urz.uni-heidelberg.de>
• Re: Gamess: How do you restart a
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: frequency analysis in Gamess
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Gamess: geometry optimizations
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: Gamess: geometry optimizations
  • From: Eugen Drosdow <Eugen.Drosdow@urz.uni-heidelberg.de>
• Re: Gamess: CCL:frequency analysis in Gamess
  • From: "Jim Kress" <kresslists@kressworks.com>
• Re: Gamess: CCL:frequency analysis in Gamess
  • From: Beth Brauer <bbrauer@fh.huji.ac.il>
• Gamess: Basis sets
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Re: Gamess: Basis sets
  • From: berger@chem.helsinki.fi (Berger Raphael)
• Re: Gamess: Basis sets
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Re: Gamess: Basis sets
  • From: smtp@fekete.mailshell.com
• Gamess: PCM calculation under Cygwin
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Re: Gamess: Basis sets
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: mo Basis sets
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: Debian file size upper limit
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: Gamess: Debian file size upper limit
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Gamess: Parallel Gamess "Strange" Proglem!
  • From: Jones de Andrade <johannes@dalton.iq.ufrgs.br>
• Re: Gamess: Parallel Gamess "Strange" Proglem!
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Gamess: Morokuma decomposition analysis
  • From: Barbara <Barbara.Boldrini@uni-konstanz.de>
• Gamess: how to reduce the size of the tempory files ?
  • From: nicole Audiffren <audiffren@cines.fr>
• Gamess: problems with GAMESS optimization
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Re: Gamess: problems with GAMESS optimization
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• Gamess: Gamess and external basis
  • From: Grupo de Química Computacional <quimcom@uclm.es>
• Gamess: Gamess and external basis
  • From: Grupo de Química Computacional <quimcom@uclm.es>
• Re: Gamess: problems with GAMESS optimization
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Gamess: Parallel Gamess
  • From: Rocco <rocco.martinazzo@unimi.it>
• Gamess: How to give the correct Multiplicity in GAMESS
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Fwd: Re: Gamess: How to give the correct Multiplicity in GAMESS
  • From: kcousins@csusb.edu
• Gamess: linux-pc: "Connect to kickoff socket by process 0 has failed"
  • From: Jerome Levesque <jerome.levesque@nrc.ca>
• Gamess: How to add NBO to GAMESS
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Re: Gamess: How to add NBO to GAMESS
  • From: "Jim Kress" <kresslists@kressworks.com>
• Gamess: simulated FTIR
  • From: "Lane Baker" <laneabaker@hotmail.com>
• Re: Gamess: simulated FTIR
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Gamess: Semi-empirical optimization
  • From: Socrates de Oliveira Dantas <dantas@fisica.ufjf.br>
• RE: Gamess: linux-pc: "Connect to kickoff socket by process 0 has failed"
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• Gamess: subscribe
  • From: "Jozef Gonda" <jgonda@kosice.upjs.sk>
• Gamess: [Fwd: Problems with nbo]
  • From: parveen <chemdyn@pu.ac.in>
• Gamess: parallel MP2 under Linux problem
  • From: Andrey Starikov <andr@ipoc.rsu.ru>
• Gamess: PDC keyword
  • From: Michael Patzschke <michaelp@chemie.fu-berlin.de>
• Gamess: bug in hess.src ?
  • From: Vyacheslav Sokolov <vence@status.comcor.ru>
• Gamess: pp* & np* states
  • From: Dan Thomas Major <majord@mail.biu.ac.il>
• Gamess: PCGamess
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• Re: Gamess: PCGamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Gamess: Restarting a sadpoint
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: Password for Gamess Archives
  • From: "Angelo R. Rossi" <rossi@watson.ibm.com>
• Gamess: Problem about NBO 3.0 with GAMESS
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Gamess: Summary -- problems during GAMESS optimization
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Gamess: about the input of basis set
  • From: "zhu" <hu.zhengfa@oulu.fi>
• Gamess: problems with DFT Hessian
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Gamess: Input file format
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Gamess: 16 cpu limit on SGI origin 2k?
  • From: chris harwell <crharwell@yahoo.com>
• Gamess: GAMESS on MacOSX 10.2.5
  • From: Kevin Cossel <cosselk@mac.com>
• [Gamess] Diastereoisomers
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] Conical intersection
  • From: "Dan Thomas Major" <majord@mail.biu.ac.il>
• [Gamess] Problem with coordinates in GAMESS
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• [Gamess] Whatever happened to pc-gamess ?
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Whatever happened to pc-gamess ?
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Whatever happened to pc-gamess ?
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Re: [Gamess] Whatever happened to pc-gamess ?
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] Re: Gamess Digest, Vol 1, Issue 15
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] Problem with coordinates in GAMESS
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Re: [Gamess] Whatever happened to pc-gamess ?
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• [Gamess] change in calculation speed for Jan 2003 version from Aug 2002 one
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Re: [Gamess] Problem with coordinates in GAMESS
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• [Gamess] Extra 3 seconds wasted.
  • From: Shuzhi Wang <wang_shuzhi@yahoo.com>
• [Gamess] Re: Gamess Digest, Vol 1, Issue 12
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] H2 ground state
  • From: Andre Staudte <Staudte@hsbpc1.ikf.physik.uni-frankfurt.de>
• [Gamess] GAMESS on a FreeBSD platform
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Re: [Gamess] GAMESS on a FreeBSD platform
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] GAMESS on a FreeBSD platform
  • From: Pedro A M Vazquez <vazquez@iqm.unicamp.br>
• Re: [Gamess] GAMESS on a FreeBSD platform
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Re: [Gamess] GAMESS on a FreeBSD platform
  • From: Pedro A M Vazquez <vazquez@iqm.unicamp.br>
• [Gamess] problem with GAMESS on FreeBSD
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• Re: [Gamess] H2 ground state
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• [Gamess] failure of parallel gamess
  • From: kcousins@csusb.edu
• Re: [Gamess] failure of parallel gamess
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] ia64 itanium2 / sgi altix?
  • From: chris harwell <crharwell@yahoo.com>
• Re: [Gamess] failure of parallel gamess
  • From: kcousins@csusb.edu
• [Gamess] Problems to read a gaussian type Z-matrix in GAMESS
  • From: Eduardo <edulsa@quimica.ufpr.br>
• [Gamess] solved: parallel gamess problems
  • From: kcousins@csusb.edu
• Re: [Gamess] ia64 itanium2 / sgi altix?
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• Re: [Gamess] solved: parallel gamess problems
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• [Gamess] Howto change atom number in IRIX 6.5
  • From: Lopez Albarran Pablo <palo@xanum.uam.mx>
• [Gamess] problems to read the z-matrix in a input file
  • From: Eduardo <edulsa@quimica.ufpr.br>
• Re: [Gamess] problems to read the z-matrix in a input file
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Bond order and valence analyses
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] problems to read the z-matrix in a input file
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• [Gamess] DASORT size limit
  • From: berger@chem.helsinki.fi (Berger Raphael)
• [Gamess] Stability
  • From: FyD <fyd@u-picardie.fr>
• Re: [Gamess] Stability
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• RE: [Gamess] Bond order and valence analyses
  • From: "Tapas Kar" <tapaskar@cc.usu.edu>
• Re: [Gamess] Stability-II
  • From: FyD <fyd@u-picardie.fr>
• [Gamess] hessian in internal coordinates
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Re: [Gamess] hessian in internal coordinates
  • From: Jorge Luis Llanio <jolla@ci.uc.pt>
• [Gamess] Bond order in DFT
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] Bond order in DFT
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• RE: [Gamess] Bond order in DFT
  • From: "Tapas Kar" <tapaskar@cc.usu.edu>
• [Gamess] SCF failing with DFT
  • From: Andrew Rohl <andrew@power.curtin.edu.au>
• Re: [Gamess] SCF failing with DFT
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] SCF failing with DFT
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Bond Order threshold
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Re: SCF failing with DFT
  • From: Andrew Rohl <andrew@power.curtin.edu.au>
• [Gamess] freezing coordinate during optimization
  • From: "Dorit Shemesh" <doritsh@fh.huji.ac.il>
• Re: [Gamess] freezing coordinate during optimization
  • From: <kresslists@kressworks.com>
• Re: [Gamess] freezing coordinate during optimization
  • From: aldo jongejan <jongejan@few.vu.nl>
• [Gamess] optimization fails
  • From: "Jaehoon Jung" <byhill@empal.com>
• Re: [Gamess] optimization fails
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] optimization fails
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: [Gamess] optimization fails
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] optimization fails
  • From: Victor Calvo-Perez <vcalvo@abello.dic.uchile.cl>
• RE: [Gamess] optimization fails
  • From: Molnar Laszlo <molnar.laszlo@richter.hu>
• Re: [Gamess] optimization fails
  • From: Victor Calvo-Perez <vcalvo@abello.dic.uchile.cl>
• RE: [Gamess] optimization fails
  • From: Molnár László <molnar.laszlo@richter.hu>
• [Gamess] Virtual orbital and energies energies
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: [Gamess] Virtual orbital and energies energies
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] atomic orbitals
  • From: Seiichiro Tanizaki <tanizaki@brandeis.edu>
• Re: [Gamess] Virtual orbital and energies energies
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: [Gamess] atomic orbitals
  • From: matt watkins <matthew.watkins@kcl.ac.uk>
• Re: [Gamess] atomic orbitals
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: [Gamess] Virtual orbital and energies energies
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] Free radical charge
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• Re: [Gamess] Free radical charge
  • From: kcousins@csusb.edu
• [Gamess] fixing occupation numbers in the input
  • From: michele girlanda <mich@pimac2.iet.unipi.it>
• [Gamess] Free radical
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] atomic orbitals (cont'd)
  • From: Seiichiro Tanizaki <tanizaki@brandeis.edu>
• Re: [Gamess] atomic orbitals (cont'd)
  • From: chris harwell <crharwell@yahoo.com>
• Re: [Gamess] atomic orbitals (cont'd)
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] atomic orbitals (cont'd)
  • From: Victor Lua~na Cabal <victor@fluor.quimica.uniovi.es>
• [Gamess] checkpoint from Gaussian to gamess
  • From: "chen wrh" <chenwrh@hotmail.com>
• [Gamess] Guess in Gamess
  • From: "chen wrh" <chenwrh@hotmail.com>
• Re: [Gamess] Guess in Gamess
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• Re: [Gamess] Guess in Gamess
  • From: Karl Irikura <karl.irikura@nist.gov>
• [Gamess] Bond dissociation and resonance stabilization energy of free radical
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] atomic orbitals
  • From: Seiichiro Tanizaki <tanizaki@brandeis.edu>
• [Gamess] molecular similarity from GAMESS results
  • From: kcousins@csusb.edu
• Re: [Gamess] molecular similarity from GAMESS results
  • From: <kresslists@kressworks.com>
• [Gamess]
  • From: "Gholamhassn Azimi" <G-Azimi@araku.ac.ir>
• Re: [Gamess]
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess]
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Large calculations using GAMESS
  • From: Joao Otavio M A Lins <jomal@chaer.iq.ufrj.br>
• Re: [Gamess] Large calculations using GAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] CISD calculation
  • From: Antonio Vila Vilarinho <vila@uvigo.es>
• Re: [Gamess] CISD calculation
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] CISD calculation
  • From: <kresslists@kressworks.com>
• Re: [Gamess] Large calculations using GAMESS
  • From: "Dr. Bruce Milne" <b.milne@abdn.ac.uk>
• [Gamess] PCM error (Italian?)
  • From: kcousins@csusb.edu
• Re: [Gamess] PCM error (Italian?)
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] PCM error (Italian?)
  • From: <kresslists@kressworks.com>
• [Gamess] PCM problem solved.
  • From: kcousins@csusb.edu
• [Gamess] How to fix NIPGRP value
  • From: Murat Cetinbas <cetinbas@sfu.ca>
• [Gamess] Memory problem
  • From: "chen wrh" <chenwrh@hotmail.com>
• Re: [Gamess] Memory problem
  • From: "Gholamhassn Azimi" <G-Azimi@araku.ac.ir>
• Re: [Gamess] Memory problem
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• Re: [Gamess] Memory problem
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Memory for MP2
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• [Gamess] optimisation error
  • From: parveen <chemdyn@pu.ac.in>
• [Gamess] Does gamess support ssh
  • From: Morris M M Law <morris@sci.hkbu.edu.hk>
• [Gamess] parallel GAMESS with different PCUs
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• Re: [Gamess] Does gamess support ssh
  • From: Ben Webb <ben@bellatrix.pcl.ox.ac.uk>
• [Gamess] Heat of formation
  • From: parveen <chemdyn@pu.ac.in>
• Re: [Gamess] Does gamess support ssh
  • From: Morris M M Law <morris@sci.hkbu.edu.hk>
• Re: [Gamess] Does gamess support ssh
  • From: Ben Webb <ben@bellatrix.pcl.ox.ac.uk>
• [Gamess] PC GAMESS v. 6.3 is available!
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] PC GAMESS v. 6.3 is available!
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• RE: [Gamess] PC GAMESS v. 6.3 is available!
  • From: 윤창주 <cjyoon@www.cuk.ac.kr>
• [Gamess] complitaion problems on IRIX64
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• Re: [Gamess] complitaion problems on IRIX64
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• Re: [Gamess] PC GAMESS v. 6.3 is available!
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] Gamess & Cluster Newbie
  • From: The Matt <thompsma@colorado.edu>
• [Gamess] Help Gamess for SCO Unix OS
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] Gamess & Cluster Newbie
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• [Gamess] Different results in Gamess (Linux) and PC Gamess
  • From: "Pablo Vitoria" <qibvigap@lg.ehu.es>
• [Gamess] Who has Gamess compiled for SCO UNIX??????
  • From: "R.Holomb" <holomb@ukr.net>
• [Gamess] Who has new version (2003) of Gamess compiled for Windows98??????
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] Different results in Gamess (Linux) and PC Gamess
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Who has new version (2003) of Gamess compiled for Windows98??????
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Energy unit-conversion to KJ/Mole
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] Re: HOMO energy or IP calculation
  • From: kalapatapu sairam <kalapatapus@yahoo.co.uk>
• Re: [Gamess] Energy unit-conversion to KJ/Mole
  • From: parveen <chemdyn@pu.ac.in>
• Re: [Gamess] Re: HOMO energy or IP calculation
  • From: parveen <chemdyn@pu.ac.in>
• Re: [Gamess] Re: HOMO energy or IP calculation
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Re: HOMO energy or IP calculation
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• [Gamess] Parallel Execution
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• Re: [Gamess] Parallel Execution
  • From: "Pablo Vitoria" <qibvigap@lg.ehu.es>
• [Gamess] Standart correlation coefficient (0,89...) for vibration frequency calculation in HF 6-31G basis set not corectly for my As @ Satom????
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] Parallel Execution
  • From: Vyacheslav Sokolov <vence@status.comcor.ru>
• [Gamess] Re: Gamess in parallel
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• [Gamess] test
  • From: Vyacheslav Sokolov <vence@status.comcor.ru>
• [Gamess] gamess problem
  • From: Andrea Melchior <anmelk@adriacom.it>
• Re: [Gamess] gamess problem
  • From: Martin Hilgeman <hilgeman@sgi.com>
• [Gamess] Geometry not converged
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• Re: [Gamess] Geometry not converged
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Geometry not converged
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] Geometry not converged
  • From: Jinsong Zhao <zh_jinsong@yahoo.com.cn>
• [Gamess] Gamess problem
  • From: Andrea Melchior <anmelk@adriacom.it>
• Re: [Gamess] Geometry not converged
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• [Gamess] Geometry converged-NSTEP
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] GVB
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] GVB
  • From: matt watkins <matthew.watkins@kcl.ac.uk>
• [Gamess] Ref.: Not a Stationary point
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] Ref.:CBS-4 method
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• Re: [Gamess] Ref.: Not a Stationary point
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• [Gamess] Ref.: OPTTOL
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] Re: Compilation on MacOS X with Apple BLAS
  • From: Geoff Hutchison <hutchisn@chem.northwestern.edu>
• Re: [Gamess] Re: Compilation on MacOS X with Apple BLAS
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] Re: Compilation on MacOS X with Apple BLAS
  • From: Kevin Cossel <cosselk@mac.com>
• [Gamess] Heme charge MP2 calculation
  • From: "Dmitry Egorov" <egorov@newhospital.ru>
• [Gamess] gamess on opteron
  • From: Jiří Černý <jiri.cerny@jh-inst.cas.cz>
• Re: [Gamess] gamess on opteron
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] Re: gamess on opteron
  • From: Jiří Černý <jiri.cerny@jh-inst.cas.cz>
• [Gamess] RHF SCF CALCULATION does not converge when optimizing EC
  • From: Takefumi SORA <sora.takefumi@jri.co.jp>
• Re: [Gamess] RHF SCF CALCULATION does not converge when optimizing EC
  • From: FyD <fyd@u-picardie.fr>
• Re: [Gamess] RHF SCF CALCULATION does not converge when optimizing EC
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• [Gamess] ROUNDOFF ERROR IN BEND
  • From: Takefumi SORA <sora.takefumi@jri.co.jp>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: Takefumi SORA <sora.takefumi@jri.co.jp>
• [Gamess] AmesLab FCI code: isn't it too clever?
  • From: "Oleg A. Zhikol" <zhikol@xray.isc.kharkov.com>
• [Gamess] Basis functions make results so different ?
  • From: Takefumi SORA <sora.takefumi@jri.co.jp>
• Re: [Gamess] Basis functions make results so different ?
  • From: "Gholamhassn Azimi" <G-Azimi@araku.ac.ir>
• [Gamess] Sample MPP Jobs?
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• [Gamess] Write 6-311 G Pople's basys with 1 nd polarized function
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] Write 6-311 G Pople's basys with 1 nd polarized function
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: Takefumi SORA <sora.takefumi@jri.co.jp>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: "Jim Kress" <kresslists@kressworks.com>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: "Jim Kress" <kresslists@kressworks.com>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Help write 6-311 for As and S atoms
  • From: "R.Holomb" <holomb@ukr.net>
• [Gamess] Re: Help write 6-311 for As and S atoms
  • From: "Oleg A. Zhikol" <zhikol@xray.isc.kharkov.com>
• [Gamess] incorrect run ... Broken pipe
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] incorrect run ... Broken pipe
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• Re: [Gamess] Help write 6-311 for As and S atoms
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Help write 6-311 for As and S atoms
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: "Jim Kress" <kresslists@kressworks.com>
• [Gamess] mpirun and GAMESS Environment Variables
  • From: "Angelo R. Rossi" <rossi@watson.ibm.com>
• [Gamess] GRABFF Hessian translation program from Gaussian 94 to Gamess
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] ROUNDOFF ERROR IN BEND
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] GRABFF Hessian translation program from Gaussian 94 to Gamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] incorrect run ... Broken pipe
  • From: Mathias Weigt <weigt@uni.de>
• [Gamess] Help: Bogus Read of a DAF Record
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] Help: Bogus Read of a DAF Record
  • From: matt watkins <matthew.watkins@kcl.ac.uk>
• Re: [Gamess] Help: Bogus Read of a DAF Record
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: [Gamess] Help: Bogus Read of a DAF Record
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] Help: Bogus Read of a DAF Record
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Re: [Gamess] Help: Bogus Read of a DAF Record
  • From: The Matt <thompsma@colorado.edu>
• [Gamess] Why use Gaussian and Gamess programs???
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] Why use Gaussian and Gamess programs???
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Energy
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] Energy
  • From: "Pablo Vitoria" <qibvigap@lg.ehu.es>
• [Gamess] about NBO
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] band gap and wrong bonds
  • From: "R.Holomb" <holomb@ukr.net>
• [Gamess] band gap and wrong bonds
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] band gap and wrong bonds
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] about NBO
  • From: Victor Calvo <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] about NBO
  • From: d.court@mdx.ac.uk
• Re: [Gamess] band gap and wrong bonds
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• Re: [Gamess] band gap and wrong bonds
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] about NBO
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] about NBO
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] about NBO
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] symmetry of electronic states
  • From: "V. Kuzmin" <kuzmin@nrmail.jinr.ru>
• [Gamess] other basis sets
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] other basis sets
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] freezing zmatrix coordinates
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] freezing zmatrix coordinates
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] freezing zmatrix coordinates
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] freezing zmatrix coordinates
  • From: d.court@mdx.ac.uk
• [Gamess] TZV basis sets needed
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] TZV basis sets needed
  • From: Cristina Kaposta <kaposta@physik.fu-berlin.de>
• Re: [Gamess] TZV basis sets needed
  • From: <smtp@fekete.mailshell.com>
• Re: [Gamess] TZV basis sets needed
  • From: "Sergio Emanuel Galembeck" <segalemb@usp.br>
• Re: [Gamess] TZV basis sets needed
  • From: Victor Calvo <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] TZV basis sets needed
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] TZV basis sets needed
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] mcscf calculations
  • From: Dominik Domin <domin@nopal.cchem.berkeley.edu>
• [Gamess] TZV basis: Posting responses
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• [Gamess] TZV basis: Posting responses
  • From: d.court@mdx.ac.uk
• Re: [Gamess] TZV basis: Posting responses
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• [Gamess] Geometry optimization
  • From: "R.Holomb" <holomb@ukr.net>
• Re: [Gamess] TZV basis: Posting responses
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Searching for a reasonable optimization level
  • From: Alex Wong <alexium@yahoo.com>
• [Gamess] Searching for a reasonable optimization level
  • From: d.court@mdx.ac.uk
• Re: [Gamess] Searching for a reasonable optimization level
  • From: "Sergio Emanuel Galembeck" <segalemb@usp.br>
• [Gamess] Band structure!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] Band structure!
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Band structure!
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] Band structure!
  • From: d.court@mdx.ac.uk
• [Gamess] DMAs Dipoles
  • From: Joanna Bailey <jb370@cam.ac.uk>
• [Gamess] DMAs Dipoles
  • From: d.court@mdx.ac.uk
• Re: [Gamess] DMAs Dipoles
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] TZV basis sets needed
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] about the archive DICTNRY
  • From: Eduardo <edulsa@quimica.ufpr.br>
• [Gamess] aminoacids optimization
  • From: chandran karunakaran <ckaru2000@yahoo.com>
• [Gamess] aminoacids optimization
  • From: d.court@mdx.ac.uk
• Re: [Gamess] aminoacids optimization
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] aminoacids optimization
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• [Gamess] MOs for Uranium compounds
  • From: Kevin Cossel <cosselk@mac.com>
• Re: [Gamess] aminoacids optimization
  • From: Thomas Hübner <dr.t.huebner@gmx.de>
• Re: [Gamess] aminoacids optimization
  • From: d.court@mdx.ac.uk
• [Gamess] Point Groups!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] aminoacids optimization
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Point Groups!
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Point Groups!
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Re: Point Groups
  • From: Andrew Rohl <andrew@power.curtin.edu.au>
• [Gamess] Re: Point Groups
  • From: d.court@mdx.ac.uk
• [Gamess] gamess in the background
  • From: Imed Mehdaoui <mehdaoui@fhi-berlin.mpg.de>
• [Gamess] gamess in the background
  • From: d.court@mdx.ac.uk
• Re: [Gamess] gamess in the background
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] gamess in the background
  • From: Imed Mehdaoui <mehdaoui@fhi-berlin.mpg.de>
• Re: [Gamess] gamess in the background
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] problems linking gamess on HP-machine
  • From: Imed Mehdaoui <mehdaoui@fhi-berlin.mpg.de>
• [Gamess] Eigenvalues of the Hamiltonian
  • From: torsten.schmidt@s1999.tu-chemnitz.de
• Re: [Gamess] Eigenvalues of the Hamiltonian
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• [Gamess] Eigenvalues of the Hamiltonian
  • From: torsten.schmidt@s1999.tu-chemnitz.de
• Re: [Gamess] Eigenvalues of the Hamiltonian
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• [Gamess] Energy Eigenvalues
  • From: torsten.schmidt@s1999.tu-chemnitz.de
• [Gamess] GENERIC NAME DFTGRID WITH A SETENV
  • From: Lopez Albarran Pablo <palo@xanum.uam.mx>
• Re: [Gamess] GENERIC NAME DFTGRID WITH A SETENV
  • From: Eduardo <edulsa@quimica.ufpr.br>
• [Gamess] ENERGY COMPONENTS
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] ENERGY COMPONENTS
  • From: GAMESS <gamess@kressworks.com>
• [Gamess] Conversion from CML format
  • From: "Ichiro Nagano" <nagano@atrc.mhi.co.jp>
• Re: [Gamess] Conversion from CML format
  • From: torsten.schmidt@s1999.tu-chemnitz.de
• [Gamess] fitting charges to ESP
  • From: Douglas Ridgway <ridgway@dridgway.com>
• [Gamess] small cluster for GAMESS
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• Re: [Gamess] small cluster for GAMESS
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] Help
  • From: Silvano Buback <snbuback@cce.ufes.br>
• [Gamess] normal mode projection
  • From: Qiang Lu <qiangl@uci.edu>
• Re: [Gamess] normal mode projection
  • From: GAMESS <gamess@kressworks.com>
• [Gamess] compilation with ifc
  • From: "Sergio Emanuel Galembeck" <segalemb@usp.br>
• Re: [Gamess] compilation with ifc
  • From: Ted Packwood <malice@cray.com>
• [Gamess] speed degradation of new releases
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] Idea of ghost atoms
  • From: Alex Wong <alexium@yahoo.com>
• Re: [Gamess] Idea of ghost atoms
  • From: berger@chem.helsinki.fi (Berger Raphael)
• [Gamess] Adiabatic Vs. Diabatic surfaces
  • From: <kallush@bgumail.bgu.ac.il>
• [Gamess] minimised coordinates output
  • From: "Jorge Iulek" <iulek@interponta.com.br>
• [Gamess] Help 2
  • From: Silvano Buback <snbuback@cce.ufes.br>
• Re: [Gamess] minimised coordinates output
  • From: kcousins@csusb.edu
• [Gamess] OpenBabel vs. Babel (was:minimised coordinates output)
  • From: Kurt Glaesemann <glaesemann1@llnl.gov>
• Re: [Gamess] minimised coordinates output
  • From: jr <russellj@csus.edu>
• Re: [Gamess] OpenBabel vs. Babel
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] minimised coordinates output
  • From: "Agache Costel" <cagache@unitbv.ro>
• Re: [Gamess] minimised coordinates output
  • From: Arlen Viste <Arlen_Viste@augie.edu>
• Re: [Gamess] minimised coordinates output
  • From: GAMESS <gamess@kressworks.com>
• Re: [Gamess] minimised coordinates output
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• [Gamess] Linux version of QMolView
  • From: "Agache Costel" <cagache@unitbv.ro>
• [Gamess] Re: QMolView for Linux
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• Re: [Gamess] speed degradation of new releases
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• Re: [Gamess] Re: QMolView for Linux
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Compiling GAMESS with IFC 7.0
  • From: "Dmitry Rozmanov" <dima@xenon.spb.ru>
• [Gamess] GAMESS installation
  • From: "Bill Richardson" <wrichard@sciences.sdsu.edu>
• Re: [Gamess] GAMESS installation
  • From: "Harjinder Singh (Laltu)" <laltu@pu.ac.in>
• [Gamess] Aug-cc-pDZV problems
  • From: Antonio Calo <acalo@mail.student.oulu.fi>
• RE: [Gamess] GAMESS installation
  • From: "Johnson, Gregory A" <gregory.a.johnson2@boeing.com>
• RE: [Gamess] GAMESS installation
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• RE: [Gamess] GAMESS installation
  • From: "Johnson, Gregory A" <gregory.a.johnson2@boeing.com>
• [Gamess] cray-pvp
  • From: Maciej Bobrowski <mate@julia.univ.gda.pl>
• [Gamess] z-matrix
  • From: "R.Holomb" <holomb@ukr.net>
• [Gamess] z-matrix
  • From: "R. Holomb" <holomb@ukr.net>
• Re: [Gamess] z-matrix
  • From: "V.Sokolov" <vence@status.comcor.ru>
• [Gamess] Hessian output files
  • From: Cari Davies <C.J.Davies@exeter.ac.uk>
• [Gamess] Hessian output files
  • From: Cari Davies <C.J.Davies@exeter.ac.uk>
• Re: [Gamess] Hessian output files
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Hessian output files
  • From: berger@chem.helsinki.fi (Berger Raphael)
• [Gamess] RE: GAMESS installation
  • From: Andrew Rohl <andrew@power.curtin.edu.au>
• [Gamess] RE: Hessian output files
  • From: Cari Davies <C.J.Davies@exeter.ac.uk>
• Re: [Gamess] RE: Hessian output files
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] cray-pvp
  • From: Ted Packwood <malice@cray.com>
• [Gamess] Tempo de execução
  • From: Silvano Buback <snbuback@cce.ufes.br>
• [Gamess] Photodissociation
  • From: Anders Hellman <ahell@fy.chalmers.se>
• Re: [Gamess] RE: GAMESS installation
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] Gamess and Mac G5
  • From: "ian r gould" <i.gould@imperial.ac.uk>
• [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] SCF convergence problem
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] SCF convergence problem
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• Re: [Gamess] SCF convergence problem
  • From: "RoundRaman" <RoundRaman@yandex.ru>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Re: SCF convergence problem
  • From: Michal Krompiec <mkrom@zeus.polsl.gliwice.pl>
• Re: [Gamess] Re: SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] Re: SCF convergence problem
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: [Gamess] SCF convergence problem
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• [Gamess] PC gamess 6.3
  • From: matt watkins <matthew.watkins@kcl.ac.uk>
• Re: [Gamess] PC gamess 6.3
  • From: "RoundRaman" <RoundRaman@yandex.ru>
• Re: [Gamess] PC gamess 6.3
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] PC gamess 6.3
  • From: matt watkins <matthew.watkins@kcl.ac.uk>
• Re: [Gamess] SCF convergence problem
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: [Gamess] SCF convergence problem
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Number of basis functions
  • From: "Nam A. Nguyen" <nnguyen@chem.utoronto.ca>
• Re: [Gamess] SCF convergence problem
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] SCF convergence problem
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• [Gamess] test
  • From: "V.Sokolov" <vence@status-m.ru>
• [Gamess] problem with gamess
  • From: drozd@int.pan.wroc.pl
• Re: [Gamess] SCF convergence problem
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] SCF convergence problem
  • From: d.court@mdx.ac.uk
• [Gamess] charge groups, atom type forcefileds
  • From: Lakshmi Padmavathi <lpulagam@uos.de>
• [Gamess] MR-CI ... number of states
  • From: cscpal38@area.ba.cnr.it
• Re: [Gamess] MR-CI ... number of states
  • From: root <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] MR-CI ... number of states
  • From: root <vcalvo@abello.dic.uchile.cl>
• [Gamess] QMolView 1.3.0
  • From: "Agache Costel" <cagache@unitbv.ro>
• [Gamess] QMolView 1.3.0
  • From: d.court@mdx.ac.uk
• [Gamess] help on Atrazina Molecule
  • From: "Carlos Roberto Ueda" <basrutten@pop.com.br>
• [Gamess] request
  • From: "Asit Chandra" <asitchandra@hotmail.com>
• Re: [Gamess] request
  • From: Martin Hilgeman <hilgeman@sgi.com>
• Re: [Gamess] request
  • From: "Bill Richardson" <wrichard@sciences.sdsu.edu>
• [Gamess] HELP
  • From: Jose Maria Pires <pires@cce.ufes.br>
• Re: [Gamess] HELP
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] HELP
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] HELP
  • From: d.court@mdx.ac.uk
• RE: [Gamess] HELP
  • From: "Jeff Woodford" <jeff.woodford@eou.edu>
• RE: [Gamess] HELP
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• RE: [Gamess] HELP
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• RE: [Gamess] HELP
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• RE: [Gamess] HELP
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] HELP
  • From: Jose Maria Pires <pires@cce.ufes.br>
• [Gamess] Atom contribution
  • From: Julien Chiron <juju1er.ml@free.fr>
• [Gamess] Atom contribution
  • From: d.court@mdx.ac.uk
• [Gamess] pcm calculations in gamess
  • From: Carsten Baldauf <caba@rz.uni-leipzig.de>
• [Gamess] BSSE calculation fails in MacGamess
  • From: "Robert Hinde" <rhinde@utk.edu>
• [Gamess] Spin density for MCSCF
  • From: Michael Patzschke <michaelp@chemie.fu-berlin.de>
• [Gamess] Spin density for MCSCF
  • From: d.court@mdx.ac.uk
• Re: [Gamess] Spin density for MCSCF
  • From: Eugen Leitl <eugen@leitl.org>
• [Gamess] pcm calculations in gamess
  • From: Carsten Baldauf <caba@uni-leipzig.de>
• Re: [Gamess] pcm calculations in gamess
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• [Gamess] test 33 on sun solaris
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• [Gamess] Optimization accuracy in GAMESS-US
  • From: FyD <fyd@u-picardie.fr>
• Re: [Gamess] Optimization accuracy in GAMESS-US
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Spin density for MCSCF
  • From: Christian Neiß <christian.neiss@chemie.uni-regensburg.de>
• Re: [Gamess] Optimization accuracy in GAMESS-US
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• [Gamess] Optimization accuracy in GAMESS-US
  • From: d.court@mdx.ac.uk
• [Gamess] Atom contribution
  • From: Julien Chiron <juju1er.ml@free.fr>
• [Gamess] Atom contribution
  • From: d.court@mdx.ac.uk
• Re: [Gamess] BSSE calculation fails in MacGamess
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] BSSE calculation fails in MacGamess
  • From: d.court@mdx.ac.uk
• Re: [Gamess] BSSE calculation fails in MacGamess
  • From: Eugen Leitl <eugen@leitl.org>
• [Gamess] Geometry Optimisation!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• [Gamess] Geometry Optimisation!
  • From: d.court@mdx.ac.uk
• Re: [Gamess] Geometry Optimisation!
  • From: Eugen Leitl <eugen@leitl.org>
• Re: [Gamess] Geometry Optimisation!
  • From: Julien Chiron <juju1er.ml@free.fr>
• Re: [Gamess] Geometry Optimisation!
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] electrostatic surface potential
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• Re: [Gamess] electrostatic surface potential
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] electrostatic surface potential
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• [Gamess] Re: test 33 on sun solaris
  • From: Pawel Dziekonski <dzieko@pwr.wroc.pl>
• [Gamess] Jul 3 2003, R1 vs R2
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] Re: Geometry Optimisation! (Mr. Ayan Datta)
  • From: "Burkholder, Thomas (Chem)" <Burkholder@mail.ccsu.edu>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: GAMESS <gamess@kressworks.com>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: Ted Packwood <malice@cray.com>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• [Gamess] $HESS group format
  • From: Mehdi Bounouar <mehdi.bounouar@ch.tum.de>
• Re: [Gamess] $HESS group format
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: [Gamess] $HESS group format
  • From: Mehdi Bounouar <mehdi.bounouar@ch.tum.de>
• [Gamess] BSSE input format ???
  • From: "Students of Dr. S. R. Gadre" <tcg@chem.unipune.ernet.in>
• Re: [Gamess] $HESS group format
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] $HESS group format
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: Michael Patzschke <michaelp@chemie.fu-berlin.de>
• Re: [Gamess] BSSE input format ???
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] BSSE input format ???
  • From: d.court@mdx.ac.uk
• Re: [Gamess] BSSE input format ???
  • From: Eugen Leitl <eugen@leitl.org>
• Re: [Gamess] Jul 3 2003, R1 vs R2
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] $HESS group format
  • From: Mehdi Bounouar <mehdi.bounouar@ch.tum.de>
• Re: [Gamess] $HESS group format
  • From: d.court@mdx.ac.uk
• [Gamess] Interpretation of output matrix
  • From: Arvid Requate <arvid@Physik.Uni-Bielefeld.DE>
• Re: [Gamess] $HESS group format
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] Problem with the tests (under Linux)
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• [Gamess] Eigenvalues
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] BASIS
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] Interpretation of output matrix
  • From: "Ian Love" <ilove@science.uz.ac.zw>
• [Gamess] number of states
  • From: cscpal38@area.ba.cnr.it
• Re: [Gamess] number of states
  • From: Peet Hickman <aph2@lehigh.edu>
• Re: [Gamess] number of states
  • From: Rocco <rocco.martinazzo@unimi.it>
• [Gamess] WinGAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Interpretation of output matrix
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• Re: [Gamess] WinGAMESS
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• Re: [Gamess] WinGAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] convergence problem with Pt-Cluster (DFT)
  • From: Imed Mehdaoui <mehdaoui@fhi-berlin.mpg.de>
• [Gamess] Wingamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Geometry Optimization
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• Re: [Gamess] Geometry Optimization
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] MO plots!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] Geometry Optimization
  • From: "RoundRaman" <RoundRaman@yandex.ru>
• Re: [Gamess] MO plots!
  • From: Julien Chiron <juju1er.ml@free.fr>
• [Gamess] unsuscribe
  • From: Sara Nunez <sara@risc1.aecom.yu.edu>
• Re: [Gamess] Wingamess
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Internal coordinates
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• Re: [Gamess] Internal coordinates
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• Re: [Gamess] Internal coordinates
  • From: "Rolfe G. Petschek" <rolfe.petschek@po.cwru.edu>
• Re: [Gamess] Internal coordinates
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] Wingamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Wingamess
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• [Gamess] trouble compiling gamess
  • From: mihan99 <mihan99@student.sdu.dk>
• Re: [Gamess] trouble compiling gamess
  • From: "eschumacher" <ernstgreg@bluewin.ch>
• Re: [Gamess] Wingamess
  • From: root <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] Wingamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Wingamess
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Wingamess
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• [Gamess] as usual : ddikick problem (sunos)
  • From: Anna K Croft <a.k.croft@bangor.ac.uk>
• [Gamess] Win GAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Win GAMESS
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• [Gamess] Magnetic field
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] Magnetic field
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• RE: [Gamess] Win GAMESS
  • From: "Ferris, Kim F" <Kim.Ferris@pnl.gov>
• Re: [Gamess] Win GAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] magnetic transition moments
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• [Gamess] large calculations
  • From: "Nigel W. Moriarty" <NWMoriarty@lbl.gov>
• Re: [Gamess] large calculations
  • From: "Starikov A.G." <andr@ipoc.rsu.ru>
• [Gamess] MO plots!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] MO plots!
  • From: torsten.schmidt@s1999.tu-chemnitz.de
• Re: [Gamess] MO plots!
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] MCSCF/MCQPT limits
  • From: Philipp Scherer <philipp.scherer@ph.tum.de>
• Re: [Gamess] MCSCF/MCQPT limits
  • From: Rocco <rocco.martinazzo@unimi.it>
• Re: [Gamess] MCSCF/MCQPT limits
  • From: Philipp Scherer <philipp.scherer@ph.tum.de>
• Re: [Gamess] MCSCF/MCQPT limits
  • From: Rocco <rocco.martinazzo@unimi.it>
• [Gamess] Portland Group Fortran Suggestion for GAMESS scripts/ docs
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] Portland Group Fortran Suggestion for GAMESS scripts/ docs
  • From: "Pablo Vitoria" <qibvigap@lg.ehu.es>
• [Gamess] Charge Point Field
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] Charge Point Field
  • From: "Robert Hinde" <rhinde@utk.edu>
• Re: [Gamess] Charge Point Field
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• [Gamess] Wingamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] HOMO-LUMO Gap!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] HOMO-LUMO Gap!
  • From: Tapas Kar <tapaskar@cc.usu.edu>
• Re: [Gamess] Wingamess
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Re: [Gamess] Wingamess
  • From: "Stephen P. Molnar, Ph.D." <smolnar@jadeinc.com>
• Re: [Gamess] HOMO-LUMO Gap!
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• RE: [Gamess] HOMO-LUMO Gap!
  • From: "Tapas Kar" <tapaskar@cc.usu.edu>
• [Gamess] Off topic: new IP
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Transition State location in solution using PCM
  • From: Sudha Dorairaj <sudha@andrew.cmu.edu>
• Re: [Gamess] Transition State location in solution using PCM
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• [Gamess] methane on gamess
  • From: glenn millhauser <glennm@chemistry.ucsc.edu>
• Re: [Gamess] methane on gamess
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] memory considaration
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] methane on gamess
  • From: glenn millhauser <glennm@chemistry.ucsc.edu>
• Re: [Gamess] methane on gamess
  • From: "Jamie M. Rintelman" <jamie@si.fi.ameslab.gov>
• Re: [Gamess] methane on gamess
  • From: glenn millhauser <glennm@chemistry.ucsc.edu>
• [Gamess] hessian 2 force field.
  • From: Eric Germaneau <eric.germaneau@epfl.ch>
• [Gamess] reordering of orbitals
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] methane on gamess
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Number of 2E- Integrals
  • From: Marcin Krol <mykrol@cyf-kr.edu.pl>
• [Gamess] external PM3 parameters
  • From: matt watkins <matthew.watkins@kcl.ac.uk>
• Re: [Gamess] external PM3 parameters
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] (non-Gamess) external PM3 parameters
  • From: <smtp@fekete.mailshell.com>
• Re: [Gamess] (non-Gamess) external PM3 parameters
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] (non-Gamess) external PM3 parameters
  • From: "Jim Kress" <gamess@kressworks.com>
• [Gamess] $OCCS
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• [Gamess] Orbital ordering
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• [Gamess] PC-GAMESS problems with SrO4?
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] PC-GAMESS problems with SrO4?
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] PC-GAMESS problems with SrO4?
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] PC-GAMESS problems with SrO4?
  • From: Victor Lua~na Cabal <victor@fluor.quimica.uniovi.es>
• [Gamess] Resp Esp charge Derive (RED v-1.0) release
  • From: FyD <fyd@u-picardie.fr>
• [Gamess] memory limits using EFP model
  • From: Philipp Scherer <philipp.scherer@ph.tum.de>
• Re: [Gamess] memory limits using EFP model
  • From: Philipp Scherer <philipp.scherer@ph.tum.de>
• Re: [Gamess] memory limits using EFP model
  • From: Philipp Scherer <philipp.scherer@ph.tum.de>
• [Gamess] Re: CCL:windows based orbital viewing
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] AIMPAC
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• [Gamess] Wingamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• WinGAMESS /Re: [Gamess] Off topic: new IP
  • From: <smtp@fekete.mailshell.com>
• [Gamess] Basis set for diatomic molecules
  • From: Anders Hellman <ahell@fy.chalmers.se>
• Re: [Gamess] Basis set for diatomic molecules
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• [Gamess] Re: search for the basis for Iodine
  • From: "zhu" <hu.zhengfa@oulu.fi>
• Re: [Gamess] Re: search for the basis for Iodine
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] CI is not working
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• Re: [Gamess] CI is not working
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: [Gamess] CI is not working
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] mail
  • From: Pavlo La <wero8n@yahoo.com.mx>
• [Gamess] Howto restart
  • From: Pavlo La <wero8n@yahoo.com.mx>
• Re: [Gamess] Howto restart
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• Re: [Gamess] Howto restart
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Howto restart
  • From: Pavlo La <wero8n@yahoo.com.mx>
• Re: [Gamess] CI is not working
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: [Gamess] Howto restart
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Howto restart
  • From: Pavlo La <wero8n@yahoo.com.mx>
• Re: [Gamess] Basis set for diatomic molecules
  • From: Mauro Prencipe <mauro.prencipe@unito.it>
• [Gamess] natural internal coordinates for fused rings
  • From: "Jeff Woodford" <jeff.woodford@eou.edu>
• [Gamess] script for checking test jobs?
  • From: Karl Irikura <karl.irikura@nist.gov>
• Re: [Gamess] script for checking test jobs?
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] script for checking test jobs?
  • From: FyD <fyd@u-picardie.fr>
• [Gamess] Scaling Factor for ZPE
  • From: "Clinton Threlfall" <cthrel@hotmail.com>
• [Gamess] MCSCF gradient errors with ia32 version
  • From: "Barry K. Carpenter" <bkc1@cornell.edu>
• [Gamess] gamess+tinker SIMOMM or IMOMM
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• [Gamess] About Gamess Compiler Under Linux
  • From: "xx liran" <chemorg18@hotmail.com>
• [Gamess] FFIELD
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] About Gamess Compiler Under Linux
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] script for checking test jobs?
  • From: Ted Packwood <malice@cray.com>
• [Gamess] parallel gamess question
  • From: Sigismondo Boschi <s.boschi@cineca.it>
• Re: [Gamess] parallel gamess question
  • From: Martin Hilgeman <hilgeman@sgi.com>
• Re: [Gamess] parallel gamess question
  • From: Ted Packwood <malice@cray.com>
• [Gamess] parallel gamess question - summury+further question
  • From: Sigismondo Boschi <s.boschi@cineca.it>
• [Gamess] Help required for Homo Lumo
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• [Gamess] transition magnetic moments
  • From: "Marco D'Abramo" <m.dabramo@caspur.it>
• Re: [Gamess] transition magnetic moments
  • From: "Dr. Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• [Gamess] dipole moments
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• [Gamess] CHELPG in GAMESS
  • From: FyD <fyd@u-picardie.fr>
• [Gamess] shared libs
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] shared libs
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] shared libs
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] shared libs
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] shared libs
  • From: chachi rojas <crojasa@unmsm.edu.pe>
• Re: [Gamess] shared libs
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] compiling
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] compiling
  • From: James J Coyle <jjc@iastate.edu>
• Re: [Gamess] compiling
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• RE: [Gamess] compiling
  • From: "Zottola, Mark (Cont,ARL/CISD)" <MZottola@arl.army.mil>
• RE: [Gamess] compiling
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] compiling
  • From: James J Coyle <jjc@iastate.edu>
• [Gamess] compilation
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] compilation
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] compilation
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] compilation
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] compilation
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] lked
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] GAMESS under AMD Opteron
  • From: Jiri Czernek <czernek@chemi.muni.cz>
• Re: [Gamess] lked
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• Re: [Gamess] lked
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] GAMESS under AMD Opteron
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] lked
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: [Gamess] lked
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] lked
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] lked
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] lked
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] compiling
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] lked
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] lked
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] lked
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• [Gamess] almost finished
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] rungms
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] rungms
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] rungms
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• [Gamess] ddikick: trapped unexpected termination of a child process
  • From: leizhang@alcor.concordia.ca
• Re: [Gamess] rungms
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] rungms
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] rungms
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] rungms
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] rungms
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] rungms
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] rungms
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• Re: [Gamess] rungms
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] rungms
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] ddikick: trapped unexpected termination of a child process
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] rungms
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] install
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] install
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] GAMESS under AMD Opteron
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] install
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] install
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] install
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] test
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] install
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• [Gamess] Compilation problem with g77 on Octane (IRIX 6.5.18)
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] install
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] install
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• [Gamess] request benchmark input files
  • From: Jim Fohlin <gamess@shmem.com>
• [Gamess] Compilation problem with g77 on Octane (IRIX 6.5.18) with sgi32
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] Compilation problem with g77 on Octane (IRIX 6.5.18) with sgi32
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• [Gamess] qmmm
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• Re: [Gamess] install
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] qmmm
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] question regarding NORMF parameter
  • From: Arvid Requate <arvid@Physik.Uni-Bielefeld.DE>
• Re: [Gamess] install
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] install
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] qmmm
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• Re: [Gamess] qmmm
  • From: Teodoro Laino <t.laino@sns.it>
• Re: [Gamess] install
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] qmmm
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• Re: [Gamess] qmmm
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• Re: [Gamess] qmmm
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] compilation with g77 on IRIX
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] compilation with g77 on IRIX
  • From: Martin Hilgeman <hilgeman@sgi.com>
• [Gamess] qeigen compilation with g77 on IRIX
  • From: Andras.Borosy@givaudan.com
• [Gamess] coefficients of a CIS wave function
  • From: <sasha@okra.cchem.Berkeley.edu>
• Re: [Gamess] coefficients of a CIS wave function
  • From: "Jim Kress" <gamess@kressworks.com>
• [Gamess] Memory requirements
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] Re: ddikick: trapped unexpected termination of a child process
  • From: leizhang@alcor.concordia.ca
• Re: [Gamess] Re: ddikick: trapped unexpected termination of a childprocess
  • From: "Jim Kress" <gamess@kressworks.com>
• [Gamess] Install - problem with lked
  • From: Tomasz Grabarkiewicz <grabar@rose.man.poznan.pl>
• Re: [Gamess] Install - problem with lked
  • From: The Matt <thompsma@colorado.edu>
• [Gamess] do_ud: off end of record
  • From: Andras.Borosy@givaudan.com
• [Gamess] GAMESS for athlon 64
  • From: "Dimitrios Galanakis" <dgalana@pharm.auth.gr>
• [Gamess] Intel Fortran 8.0 compilation
  • From: Alessandro Bencini <alessandro.bencini@unifi.it>
• Re: [Gamess] Intel Fortran 8.0 compilation
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] Intel Fortran 8.0 compilation
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] compilation with fortran intel 7.1
  • From: Mihai Medeleanu <medeleanu@chem.utt.ro>
• Re: [Gamess] Intel Fortran 8.0 compilation
  • From: The Matt <thompsma@colorado.edu>
• [Gamess] Re: Intel 7.1
  • From: PCL41811@alfa.ist.utl.pt
• [Gamess] Spin-Orbit calculations with GAMESS
  • From: "Brandon S Tackett" <bstack2@uky.edu>
• Re: [Gamess] Re: Intel 7.1
  • From: Pawel Dziekonski <pawel.dziekonski@pwr.wroc.pl>
• [Gamess] Gamess linking under Cygwin - undefined WunMain@16
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• [Gamess] Gamess, Spin-orbit coupling and convergence
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• [Gamess] Transition Dipole Direction ?
  • From: "Dr.Tapan K.Ghanty" <tapang@apsara.barc.ernet.in>
• Re: [Gamess] Transition Dipole Direction ?
  • From: Rocco <rocco.martinazzo@unimi.it>
• Re: [Gamess] Gamess, Spin-orbit coupling and convergence
  • From: jamie <jamie@si.fi.ameslab.gov>
• Re: [Gamess] Spin-Orbit calculations with GAMESS
  • From: Rocco <rocco.martinazzo@unimi.it>
• [Gamess] Re:Memory requirements
  • From: Andras.Borosy@givaudan.com
• AW: [Gamess] Spin-Orbit calculations with GAMESS
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] Re:Memory requirements
  • From: PCL41811@alfa.ist.utl.pt
• Re: AW: [Gamess] Spin-Orbit calculations with GAMESS
  • From: Rocco <rocco.martinazzo@unimi.it>
• Re: [Gamess] Re:Memory requirements
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] Re:Memory requirements
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Re:Memory requirements
  • From: root <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] Re:Memory requirements
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Re:Memory requirements
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] intruder states in mrpt
  • From: Alessandro Bencini <alessandro.bencini@unifi.it>
• [Gamess] GAMESS on Linux-pc (Intel)
  • From: chachi rojas <crojasa@unmsm.edu.pe>
• Re: [Gamess] GAMESS on Linux-pc (Intel)
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] GAMESS on Linux-pc (Intel)
  • From: chachi rojas <crojasa@unmsm.edu.pe>
• Re: [Gamess] GAMESS on Linux-pc (Intel)
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] GAMESS on Linux-pc (Intel)
  • From: chachi rojas <crojasa@unmsm.edu.pe>
• [Gamess] QM/MM gamess vs. charmm
  • From: Carsten Baldauf <caba@uni-leipzig.de>
• [Gamess] Point Charge!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• [Gamess] complex transition moments
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] Point Charge!
  • From: Benjamin G Janesko <bjanesko@andrew.cmu.edu>
• Re: [Gamess] Point Charge!
  • From: Michal Krompiec <mkrom@zeus.polsl.gliwice.pl>
• [Gamess] Re: Gamess Digest, Vol 7, Issue 26
  • From: Ivan Rostov <ivan.rostov@anu.edu.au>
• [Gamess] memory management
  • From: Andras.Borosy@givaudan.com
• [Gamess] MS OSs vs unixes
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] MS OSs vs unixes
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] 64-bit edition of WinXP.
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] 64-bit edition of WinXP.
  • From: PCL41811@alfa.ist.utl.pt
• Re: [Gamess] 64-bit edition of WinXP.
  • From: The Matt <thompsma@colorado.edu>
• Re: [Gamess] memory management
  • From: "Stefan A. Deutscher" <sa.deutscher@tiscali.de>
• [Gamess] Active space selection
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] Active space selection
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• [Gamess] GAMESS runs on MS windows Services for Unix 3.5
  • From: Viktor Pilepic <viktor@pharma.hr>
• Re: [Gamess] GAMESS runs on MS windows Services for Unix 3.5
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] CIS calculations
  • From: Alexander Kollias <sasha@cherry.cchem.berkeley.edu>
• [Gamess] spin-orbit calculation
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] CIS calculations
  • From: Simon Webb <simonw@ncifcrf.gov>
• Re: [Gamess] spin-orbit calculation
  • From: Rocco <rocco.martinazzo@unimi.it>
• [Gamess] Check of GAMESS installation
  • From: "Eugene O'Sullivan" <eosull@us.ibm.com>
• Re: [Gamess] Check of GAMESS installation
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• [Gamess] 64-bit GAMESS on Opteron
  • From: Jyh-Shyong Ho <c00jsh00@nchc.org.tw>
• Re: [Gamess] Check of GAMESS installation
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• Re: [Gamess] Check of GAMESS installation
  • From: Sebastian Canagaratna <s-canagaratna@onu.edu>
• Re: [Gamess] Check of GAMESS installation
  • From: Dr Gavin Seddon <gavin.m.seddon@man.ac.uk>
• [Gamess] PC Gamess Question
  • From: "PeiQuan Chen" <gamess@eyou.com>
• [Gamess] WinGAMESS R2
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] PC Gamess Question
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] New WinGamess script
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] GAMESS on Opteron
  • From: Jyh-Shyong Ho <c00jsh00@nchc.org.tw>
• Re: [Gamess] New WinGamess script
  • From: "Jim Kress" <gamess@kressworks.com>
• Re: [Gamess] New WinGamess script
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• RE: [Gamess] New WinGamess script
  • From: "Osvaldo A. Santos-Filho" <o.santosfilho@comcast.net>
• Re: [Gamess] New WinGamess script
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] MCSCF with GENCI?
  • From: Artem Masunov <amasunov@t12mail.lanl.gov>
• RE: [Gamess] New WinGamess script
  • From: "Osvaldo A. Santos-Filho" <o.santosfilho@comcast.net>
• [Gamess] batch script
  • From: "Daniel M. Chipman" <chipman.1@nd.edu>
• [Gamess] Andras Borosy is out of the office.
  • From: Andras.Borosy@givaudan.com
• [Gamess] tailor-made basis set
  • From: Theodorus De Bruin <theodorus.de-bruin@wanadoo.fr>
• RE: [Gamess] tailor-made basis set
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] tailor-made basis set
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: [Gamess] MCSCF with GENCI?
  • From: Rocco <rocco.martinazzo@unimi.it>
• Re: [Gamess] tailor-made basis set
  • From: jamie <jamie@si.fi.ameslab.gov>
• [Gamess] Opteron
  • From: Frank Jensen <frj@dou.dk>
• Re: [Gamess] Opteron
  • From: "Chona S. Guiang" <chona@tacc.utexas.edu>
• Re: [Gamess] Opteron
  • From: Jyh-Shyong Ho <c00jsh00@nchc.org.tw>
• [Gamess] problems with geometry optimization in GAMESS
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• [Gamess] Re: problems with geometry optimization in GAMESS
  • From: Matt Watkins <matthew.watkins@kcl.ac.uk>
• [Gamess] Gamess delays, DFT convergence issues
  • From: Carlos Silva Lopez <csilval@uvigo.es>
• Re: [Gamess] Gamess delays, DFT convergence issues
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess]
  • From: "tingxian xie" <xietingx@dicp.ac.cn>
• Re: [Gamess]
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] Re: Gamess Digest, Vol 7, Issue 44
  • From: "M. S. Sujatha" <suja@btc.iitb.ac.in>
• RE: [Gamess] Re: Gamess Digest, Vol 7, Issue 44
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• [Gamess] properties calculation
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] properties calculation
  • From: Rocco <rocco.martinazzo@unimi.it>
• RE: [Gamess] properties calculation
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• Re: [Gamess] properties calculation
  • From: Rocco <rocco.martinazzo@unimi.it>
• RE: [Gamess] properties calculation
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• [Gamess] Molecular Orbital plotting
  • From: Neil Watkins <nwatkins@ccs.nrl.navy.mil>
• RE: [Gamess] Molecular Orbital plotting
  • From: "Georg Lefkidis" <lefkidis@physik.uni-kl.de>
• RE: [Gamess] Molecular Orbital plotting
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• RE: [Gamess] Molecular Orbital plotting
  • From: torsten.schmidt@s1999.tu-chemnitz.de
• Re: [Gamess] Molecular Orbital plotting
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] IS IT OR NOT A STATIONARY POINT?
  • From: Jose Roldan <jose.roldan@ulsop.ac.uk>
• Re: [Gamess] IS IT OR NOT A STATIONARY POINT?
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• [Gamess] Re: about parallel calculation
  • From: "mashaojiesohu" <mashao_jie@sohu.com>
• [Gamess] spin-orbit coupling
  • From: "tingxian xie" <xietingx@dicp.ac.cn>
• Re: [Gamess] Re: about parallel calculation
  • From: "Chona S. Guiang" <chona@tacc.utexas.edu>
• [Gamess] gamess on macosx with ibm compilers
  • From: Fabrice Leclerc <Fabrice.Leclerc@maem.uhp-nancy.fr>
• [Gamess] RE: $PCM and nonaqueous solvents
  • From: "Washington, G. DR C&LS" <Gary.Washington@usma.edu>
• [Gamess] Error during ROHF geometry optimization
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] Linux Version different?
  • From: Arvid Requate <arvid@Physik.Uni-Bielefeld.DE>
• [Gamess] Why this warning appear?
  • From: "PeiQuan Chen" <gamess@eyou.com>
• Re: [Gamess] Why this warning appear?
  • From: Jose Roldan <jose.roldan@ulsop.ac.uk>
• [Gamess] The PC GAMESS version 6.4 release is available
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] new PCgam script
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] Parallel PC GAMESS v. 6.4 bugfix is available
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Parallel PC GAMESS v. 6.4 bugfix is available
  • From: Arlen Viste <Arlen_Viste@augie.edu>
• [Gamess] Oscillator strengths
  • From: Artem Masunov <amasunov@t12mail.lanl.gov>
• [Gamess] Force constant matrix
  • From: "Laurynas Riauba" <lari2342@uosis.mif.vu.lt>
• [Gamess] dump core
  • From: Nurzhan Ustemirov <nurzhan@scl.ameslab.gov>
• [Gamess] c6 symmetry in MCSCF
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• [Gamess] Exam23 Error
  • From: Matt Thompson <thompsma@colorado.edu>
• Re: [Gamess] c6 symmetry in MCSCF
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• [Gamess] Andras Borosy is out of the office.
  • From: Andras.Borosy@givaudan.com
• [Gamess] compall doesn't find sources
  • From: Pavlo La <wero8n@yahoo.com.mx>
• [Gamess] dummy atom
  • From: Tamar Ansbacher <etamar@fh.huji.ac.il>
• [Gamess] PC GAMESS on Linux 2.6 kernel
  • From: "Laurynas Riauba" <lari2342@uosis.mif.vu.lt>
• Re: [Gamess] PC GAMESS on Linux 2.6 kernel
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] about pcgamess-parallel
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• Re: [Gamess] about pcgamess-parallel
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess]
  • From: Richard Alan Lewis <LEWIS_RICHARD_ALAN@LILLY.COM>
• [Gamess] gamess bench input file
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• [Gamess] ddikick on my linux (rh 9) blade cluster
  • From: Richard Alan Lewis <LEWIS_RICHARD_ALAN@LILLY.COM>
• Re: [Gamess] ddikick on my linux (rh 9) blade cluster
  • From: Brett Bode <brett@si.fi.ameslab.gov>
• Re: [Gamess] ddikick on my linux (rh 9) blade cluster
  • From: Richard Alan Lewis <LEWIS_RICHARD_ALAN@LILLY.COM>
• [Gamess] Problem with MCSCF GUGA in PCGAMESS 6.4
  • From: "B.D Allen" <B.D.Allen@newcastle.ac.uk>
• [Gamess] NMR simulations in GAMESS
  • From: David MARSEAULT <david.marseault@hei.fr>
• Re: [Gamess] Problem with MCSCF GUGA in PCGAMESS 6.4
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] ghost atoms in ccsd calculations
  • From: Sébastien Hamel <sebastien.hamel@UMontreal.CA>
• [Gamess] PC Gamess Question
  • From: "PeiQuan Chen" <gamess@eyou.com>
• Re: [Gamess] ghost atoms in ccsd calculations
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• Re: [Gamess] ghost atoms in ccsd calculations
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] on a linux system
  • From: Robert Cave <Robert_Cave@HMC.Edu>
• Re: [Gamess] on a linux system
  • From: Stanislaw Kucharski <s.kucharski@ch.pwr.wroc.pl>
• [Gamess] Help with MCSCF excited-state calculation
  • From: <xftan@verizon.net>
• [Gamess] Error: Spin-Orbit Coupling
  • From: Gopakumar <gopakumar@chem.kuleuven.ac.be>
• [Gamess] MCQDPT
  • From: "No. 21" <cor_g21@yahoo.com>
• Re: [Gamess] Help with MCSCF excited-state calculation
  • From: Rocco <rocco.martinazzo@unimi.it>
• Re: [Gamess] on a linux system and [Gamess] ddikick on my linux (rh 9) blade cluster
  • From: Richard Alan Lewis <LEWIS_RICHARD_ALAN@LILLY.COM>
• [Gamess] solvent data for DMF, PC
  • From: Anne-Marie Kelterer <kelterer@tugraz.at>
• [Gamess] Hardware choices
  • From: "Thomas R. Burkholder" <burkholder@ccsu.edu>
• [Gamess] Dft for hydrogen atom
  • From: "Jay Sullivan (NW-Contractor)" <sullivjm@ccs.nrl.navy.mil>
• Re: [Gamess] Dft for hydrogen atom
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: [Gamess] Dft for hydrogen atom
  • From: "eschumacher" <ernstgreg@bluewin.ch>
• Re: [Gamess] Error during ROHF geometry optimization
  • From: Dmitry Rozmanov <dima@xenon.spb.ru>
• Re: [Gamess] Dft for hydrogen atom
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• RE: [Gamess] Dft for hydrogen atom
  • From: "Jeff Woodford" <jeff.woodford@eou.edu>
• Re: [Gamess] Dft for hydrogen atom
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess]
  • From: "Jay Sullivan (NW - Research Associate)" <sullivjm@ccs.nrl.navy.mil>
• Re: [Gamess] Dft for hydrogen atom
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] RE: Gamess DFT for H atom
  • From: "Jay Sullivan (NW-Contractor)" <sullivjm@ccs.nrl.navy.mil>
• Re: [Gamess] Dft for Hydrogen atoms
  • From: root <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] RE: Gamess DFT for H atom
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• RE: [Gamess] RE: Gamess DFT for H atom
  • From: "Jay Sullivan (NW-Contractor)" <sullivjm@ccs.nrl.navy.mil>
• [Gamess] GAMESS compilation
  • From: caueda2003 <caueda2003@yahoo.com.br>
• Re: [Gamess] Dft for hydrogen atom
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• [Gamess] SDCI on fairly large molecule
  • From: "Jeff Woodford" <jeff.woodford@eou.edu>
• RE: [Gamess] Dft for hydrogen atom
  • From: "Jay Sullivan" <james.m.sullivan@comcast.net>
• Re: [Gamess] Dft for hydrogen atom
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Dft for hydrogen atom
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] Dft for hydrogen atom
  • From: Gerard Harbison <gerry@chem-gharbison.unl.edu>
• [Gamess] runall
  • From: "Liqiang J. Wei" <lwei@cfa.harvard.edu>
• Re: [Gamess] runall
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• Re: [Gamess] runall
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• [Gamess] QMolView version 2.0.0
  • From: "Agache Costel" <cagache@unitbv.ro>
• [Gamess] Radial Expectation Values
  • From: Wilton Virgo <wilton@asu.edu>
• [Gamess] converting mo format from gaussian to gamess
  • From: Lorenzo Dominici <dominici@mail.die.uniroma1.it>
• Re: [Gamess] converting mo format from gaussian to gamess
  • From: "Barry K. Carpenter" <bkc1@cornell.edu>
• Re: [Gamess] converting mo format from gaussian to gamess
  • From: Lorenzo Dominici <dominici@mail.die.uniroma1.it>
• Re: [Gamess] converting mo format from gaussian to gamess
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] about mwords and memddi
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• [Gamess] Question.
  • From: Herbert Georg <hcgeorg@if.usp.br>
• [Gamess] projected force constant matrix
  • From: "Ivana Matanovic" <imatanov@irb.hr>
• [Gamess] MCSCF density
  • From: Xiaofeng Tan <xftan@verizon.net>
• Re: [Gamess] MCSCF density
  • From: "B.D Allen" <B.D.Allen@newcastle.ac.uk>
• [Gamess] Question II
  • From: Herbert Georg <hcgeorg@if.usp.br>
• [Gamess] pcgamess-parallel
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• [Gamess] estimate the disk storage requirements
  • From: Nurzhan Ustemirov <nurzhan@scl.ameslab.gov>
• [Gamess] qm/mm with gamess and charmm
  • From: Carsten Baldauf <caba@uni-leipzig.de>
• [Gamess] basis-set enquiry
  • From: Sudha Dorairaj <sudha@andrew.cmu.edu>
• Re: [Gamess] converting mo format from gaussian to gamess
  • From: Lorenzo Dominici <dominici@mail.die.uniroma1.it>
• Re: [Gamess] basis-set enquiry
  • From: Lorenzo Dominici <dominici@mail.die.uniroma1.it>
• Re: [Gamess] basis-set enquiry
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] basis-set enquiry
  • From: Matt Thompson <thompsma@colorado.edu>
• [Gamess] MCSCF restart
  • From: Marco Dabramo <m.dabramo@caspur.it>
• Re: [Gamess] MCSCF restart
  • From: Marco Dabramo <m.dabramo@caspur.it>
• [Gamess] FVALUE and IFZMAT problem
  • From: Madalin Giambasu <giambasu@biochim.ro>
• Re: [Gamess] FVALUE and IFZMAT problem
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• Re: [Gamess] MCSCF restart
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] MCSCF restart
  • From: Jamie Rintelman <jamie@si.fi.ameslab.gov>
• [Gamess] linkage problem
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] linkage problem
  • From: Matt Thompson <thompsma@colorado.edu>
• Re: [Gamess] linkage problem
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• [Gamess]
  • From: singhm@iitk.ac.in
• [Gamess] Molecular Spreadsheet for GAMESS
  • From: Andras.Borosy@givaudan.com
• Re: [Gamess] Molecular Spreadsheet for GAMESS
  • From: "B.D Allen" <B.D.Allen@newcastle.ac.uk>
• Re: [Gamess] linkage problem
  • From: "Pablo Vitoria" <qibvigap@lg.ehu.es>
• Re: [Gamess] Molecular Spreadsheet for GAMESS
  • From: "Gerardo Gonzalez" <gerardo@cv.ua.pt>
• [Gamess] convergence problem
  • From: Lorenzo Dominici <dominici@mail.die.uniroma1.it>
• Re: [Gamess] convergence problem
  • From: "Pablo Vitoria" <qibvigap@lg.ehu.es>
• Re: [Gamess] convergence problem
  • From: GORDON A GALLUP <ggallup@unlserve.unl.edu>
• [Gamess] GAMESS inputs
  • From: Andras.Borosy@givaudan.com
• [Gamess] the scripts for Linux+MPI+Myrinet
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• [Gamess] about optimization
  • From: caueda2003 <caueda2003@yahoo.com.br>
• [Gamess] HOW to convert dos file into linux file
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• Re: [Gamess] HOW to convert dos file into linux file
  • From: Andreas Korinek <andreas.korinek@wizards-of-chemistry.net>
• [Gamess] gamess to gaussian or molpro
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• Re: [Gamess] gamess to gaussian or molpro
  • From: "Barry K. Carpenter" <bkc1@cornell.edu>
• [Gamess] can I use a external magnetic field in gamess
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• [Gamess] libraries problem
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• [Gamess] transition moment
  • From: glauciob@iq.ufrj.br
• RE: [Gamess] HOW to convert dos file into linux file
  • From: "Johnson, Gregory A" <gregory.a.johnson2@boeing.com>
• Re: [Gamess] HOW to convert dos file into linux file
  • From: "Thomas R. Burkholder" <burkholder@ccsu.edu>
• [Gamess] I cannot post to the list but I do receive emails...
  • From: gamess-owner@lists.ciw.edu
• Re: [Gamess] convergence problem
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• [Gamess] PCM calculation
  • From: "Dr. Maria A. Silva" <mas65@hermes.cam.ac.uk>
• Re: [Gamess] PCM calculation
  • From: Carsten Baldauf <caba@uni-leipzig.de>
• [Gamess] Cosmo limit
  • From: "Ing. Vojtěch Spiwok" <Vojtech.Spiwok@vscht.cz>
• [Gamess] example of using EXTFIL
  • From: "Irene Newhouse" <einew@hotmail.com>
• Re: [Gamess] example of using EXTFIL
  • From: "Dr. Thomas R. Burkholder" <burkholder@ccsu.edu>
• [Gamess] optimization quit w/o error (aug-cc-pVTZ basis set)
  • From: "Carrie Brindle" <cbrindle@uci.edu>
• [Gamess] convergence problem
  • From: Bin Deng <bdeng79@yahoo.com>
• [Gamess] convergence problem
  • From: Bin Deng <bdeng79@yahoo.com>
• Re: [Gamess] optimization quit w/o error (aug-cc-pVTZ basis set)
  • From: Maciej Bobrowski <mate@chem.univ.gda.pl>
• [Gamess] ECP wiht odd Number of electrons
  • From: Mehdi Bounouar <mehdi.bounouar@ch.tum.de>
• [Gamess] PS G98 to GAMESS converter
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• [Gamess] about EFIELD
  • From: "mashaojiehotmail" <mashao_jie@hotmail.com>
• Re: [Gamess] ECP wiht odd Number of electrons
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Optimization with the calculation of Hessian
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Fwd: Re: [Gamess] converting mo format from gaussian to gamess
  • From: Lorenzo Dominici <dominici@mail.die.uniroma1.it>
• RE: [Gamess] Optimization with the calculation of Hessian
  • From: "Charles Bradshaw" <cbradshaw@mitre.org>
• Re: [Gamess] Optimization with the calculation of Hessian
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] Optimization with the calculation of Hessian
  • From: Gopakumar <gopakumar@chem.kuleuven.ac.be>
• Re: [Gamess] Optimization with the calculation of Hessian
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• [Gamess] Maximum memory available to PC GAMESS: is there a way to overpass the limit?
  • From: Çâ¸çäíûé <solarelf@mail.zp.ua>
• [Gamess] I/O problems
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] I/O problems
  • From: Carsten Baldauf <caba@uni-leipzig.de>
• Re: [Gamess] I/O problems
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] DRC concepts
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] DRC concepts
  • From: "Dorit Shemesh" <doritsh@fh.huji.ac.il>
• [Gamess] Q: INOs, generalized contractions
  • From: Arvid Requate <arvid@Physik.Uni-Bielefeld.DE>
• [Gamess] Gamess basis sets and Molekel
  • From: <xftan@verizon.net>
• [Gamess] MEMDDI bottleneck for MP2 gradients
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] MEMDDI bottleneck for MP2 gradients
  • From: "Dr. Germund Höjer" <germund@eros.pquim.unam.mx>
• [Gamess] Using GUESS=MOSAVED in PCGAMESS 6.4
  • From: "B.D Allen" <B.D.Allen@newcastle.ac.uk>
• Re: [Gamess] Using GUESS=MOSAVED in PCGAMESS 6.4
  • From: Neil Watkins <nwatkins@ccs.nrl.navy.mil>
• Re: [Gamess] Using GUESS=MOSAVED in PCGAMESS 6.4
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] GAMESS on Opteron/Athlon64
  • From: joydeep.ray@amd.com
• Re: [Gamess] Using GUESS=MOSAVED in PCGAMESS 6.4
  • From: "B.D Allen" <B.D.Allen@newcastle.ac.uk>
• [Gamess] Constrained optimization
  • From: "Panagiotis G. Karamertzanis" <p.karamertzanis@imperial.ac.uk>
• Re: [Gamess] Constrained optimization
  • From: "Ivana Matanovic" <imatanov@irb.hr>
• [Gamess] Rotational Constants
  • From: <xftan@verizon.net>
• [Gamess] Request for GAMESS input files
  • From: joydeep.ray@amd.com
• [Gamess] Water Calculations problems
  • From: "Lesser, Adam B. (2006)" <Adam.Lesser@trincoll.edu>
• [Gamess] Request for GAMESS input files
  • From: Adam Lesser <Adam.Lesser@trincoll.edu>
• Re: [Gamess] Water Calculations problems
  • From: "Jan H. Jensen" <jhjensen@blue.weeg.uiowa.edu>
• Re: [Gamess] Request for GAMESS input files
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] Request for GAMESS input files
  • From: Adam Lesser <adam.lesser@trincoll.edu>
• [Gamess] SCHLEGEL optimization
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] Water Calculations problems
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] DRC Calculations
  • From: Álvaro Cimas Samaniego <acsamaniego78@hotmail.com>
• Re: [Gamess] Water Calculations problems
  • From: Adam Lesser <Adam.Lesser@trincoll.edu>
• [Gamess] WinGAMESS
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• [Gamess] New scripts: Cygam, WingRun, RUNpcg
  • From: "E. Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] Interface programs & COMOS solvation problems
  • From: Adam Lesser <adam.lesser@trincoll.edu>
• Re: [Gamess] Interface programs & COMOS solvation problems
  • From: "Ernst Schumacher" <ernstgreg@bluewin.ch>
• [Gamess] corrupted zip file
  • From: "jaime.arce" <jaime.arce@laposte.net>
• Re: [Gamess] corrupted zip file
  • From: "Nuno A. G. Bandeira" <PCL41811@alfa.ist.utl.pt>
• Re: [Gamess] corrupted zip file
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Energies ?
  • From: Adam Lesser <adam.lesser@trincoll.edu>
• Re: [Gamess] Energies ?
  • From: Brian Salter-Duke <b_duke@octa4.net.au>
• Re: [Gamess] Energies ?
  • From: Fanis Kalatzis <me00260@cc.uoi.gr>
• [Gamess] SMP/cluster setup
  • From: Adam Lesser <Adam.Lesser@trincoll.edu>
• [Gamess] ISPHER in PCGAMESS
  • From: Arvid Requate <arvid@Physik.Uni-Bielefeld.DE>
• Re: [Gamess] SMP/cluster setup
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• [Gamess] Computing SFG first hyperpolarizability?
  • From: Dan Parks <parksdh@whitman.edu>
• Re: [Gamess] ISPHER in PCGAMESS
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• [Gamess] Missing basis
  • From: "jaime.arce" <jaime.arce@laposte.net>
• Re: [Gamess] Missing basis
  • From: Beth Brauer <bbrauer@fh.huji.ac.il>
• Re: [Gamess] Missing basis
  • From: "VCalvoP Ph.D." <vcalvo@abello.dic.uchile.cl>
• Re: [Gamess] Missing basis
  • From: Adam Lesser <adam.lesser@trincoll.edu>
• [Gamess] Too Many Rows?
  • From: Xiaofeng Tan <xftan@verizon.net>
• [Gamess] Off-diagonal tensors!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• [Gamess] problem to change NSTEP in SADPOINT calculations
  • From: Maxim Zakharov <zakharov@mpip-mainz.mpg.de>
• Re: [Gamess] problem to change NSTEP in SADPOINT calculations
  • From: Rudolf Herrmann <rudolf.herrmann@physik.uni-augsburg.de>
• [Gamess] Exited electronic states calculations
  • From: Сергей <solarelf@mail.zp.ua>
• [Gamess] GAMESSPLUS ?
  • From: Adam Lesser <Adam.Lesser@trincoll.edu>
• [Gamess] WebMO Fix for latest version of GAMESS
  • From: Adam Lesser <Adam.Lesser@trincoll.edu>
• [Gamess] Off-diagonal tensors!
  • From: "Mr. Ayan Datta" <ayan@jncasr.ac.in>
• Re: [Gamess] WebMO Fix for latest version of GAMESS
  • From: Richard Alan Lewis <LEWIS_RICHARD_ALAN@LILLY.COM>
• [Gamess] PCM ICENT=1
  • From: Donald Camaioni <donald.camaioni@pnl.gov>
• [Gamess] PCgamess error
  • From: "jaime.arce" <jaime.arce@laposte.net>
• Re: [Gamess] PCgamess error
  • From: "Alex. A. Granovsky" <gran@classic.chem.msu.su>
• Re: [Gamess] GAMESS on Opteron/Athlon64
  • From: "V.Sokolov" <vence@itslan.ru>
• RE: [Gamess] GAMESS on Opteron/Athlon64
  • From: joydeep.ray@amd.com
• [Gamess] András Borosy is out of the office.
  • From: Andras.Borosy@givaudan.com
• [Gamess] Optimization problem
  • From: <anshul@imtech.res.in>
• [Gamess] Re: Request for GAMESS input files
  • From: Nurzhan Ustemirov <nurzhan@scl.ameslab.gov>
• [Gamess] parallel gamess
  • From: <anshul@imtech.res.in>
• [Gamess] running gamess in cluster
  • From: <anshul@imtech.res.in>