Mail Thread Index
- GU: Eigenvalues of overlap,
Christian Parry
- GU: Transition dipole calculations,
Neil Anderson
- GU: Spin orbital coupling job fails,
Ida N. L. Ma
- GU: Hessian job fails,
T. Koch
- GU: IFREEZ using,
Stanislaw Kucharski
- GU: exam20 problems,
Emilio San Fabian
- GU: spin-orbit...,
qiang
- GU: HINT Coordinates,
Juan Frau
- GU: Charges using PDC.,
Sergio Emanuel Gelembeck
- GU: Point Charges,
jaimeco
- GU: soci trudge,
David J Heisterberg
- GU: Oxide calculations using GAMESS,
Darren Simpson
- [no subject],
Brion Jean
- GU: Troubles with restart vibrational calc.,
Brion Jean
- GU: Summary:HESSIAN restart,
Brion Jean
- GU: GAMESS basis set for ZnS/PbS,
orcaro
- GU: compiling problems,
connolly
- GU: mcscf problems,
john w. connolly
- GU: learning GAMESS source,
Patrick Bultinck
- GU: Seeking Molecular Dynamics package,
Victor Anisimov
- GU: ECPs and Gamess,
Laurent Joubert
- GU: parallel trouble,
Patrick Bultinck
- Re: GU: IRC Problems/Question,
Martin Ystenes
- GU: Compilation error?,
CIRCUS PEANUT
- GU: New GAMESS Version - June/22/1996,
Gotthard Saghi-Szabo
- Re: GU: HINT Coordinates / natinc,
Mariusz . Klobukowski
- GU: segmentation fault..?!,
Sabry El-Taher
- GU: mass-weighted cartesian coordinates ?,
didier Chamma
- GU: mass weighted cartesian coordinates ?,
didier Chamma
- GU: GAMESS on CRAY J90,
Gotthard Saghi-Szabo
- GU: I'd appreciate...,
Alejandro Parra
- GU: Help with Transition State Search,
Ross Underhill
- [no subject],
ERIC SPAULDING
- [no subject],
ERIC SPAULDING
- GU: done,
ERIC SPAULDING
- GU: Density Questions,
Fred Salsbury
- GU: Electron densities,
Fred Salsbury
- GU: How can I submit a lot of jobs at the same time,
Demetrio A. Da Silva Filho
- GU: Point charges for embedding,
Paul Siders
- GU: Wavefunction,
Fred Salsbury
- [no subject],
Araken dos Santos Werneck Rodrigues
- [no subject],
Araken dos Santos Werneck Rodrigues
- GU: spaces between the fields,
Demetrio A. Da Silva Filho
- GU: Strange problems with GAMESS I2CASE (fwd),
Patrick Bultinck
- GU: NBO 3.0,
Frederick P. Arnold, Jr.
- GU: Compiling GAMESS in Linux/ELF,
Stephen P. Molnar
- GU: Control of distribution,
Allen Adler
- GU: GAMESS port to Linux,
Istvan Cserny
- GU: How do I compile Gamess for Silicon Graphics Onyx?,
CBORRILL
- [no subject],
Fred Salsbury
- [no subject],
Ernst U. Wallenborn
- GU: Re:,
Martin Ystenes
- [no subject],
Nelson Henrique Morgon
- GU: Choosing simetry group,
Demetrio A. Da Silva Filho
- GU: Choosing a different symmetry plane,
Demetrio A. Da Silva Filho
- GU:symmetry problems with GAMESS,
Won Kim
- GU: Re: symmetry problem with GAMESS,
Won Kim
- GU: A Masters degree in Comp Chem using the internet.,
b_duke
- GU: New GAMESS Version - September/11/1996,
Gotthard Saghi-Szabo
- GU: optimizing memory use,
Matt Saderholm
- GU: Gamess, Saddle Point Search,
Thorsten Koch
- GU: Input Problems,
Stephen P. Molnar
- [no subject],
sssssssssss
- GU: Partial Geometry Optimization,
yoshicad
- GU: METHOD=CONOPT question,
Thorsten Koch
- GU: re: compilation of Gamess on Hp720,
M.Govender
- GU: GAMESS properties visualization,
Jeffrey J Gosper
- GU: MCSCF on excited states...,
Alejandro Parra
- [no subject],
Piotr Cysewski
- GU: Freezing atoms,
orcaro
- GU: Raman,
Patrik Johansson
- Re: GU: Looking for Inorganic structures database,
brian
- GU: Freq with GAMESS...,
qiang
- GU: Z-matrix error,
orcaro
- GU: Natural Internal Coordinates for linear bend,
CBORRILL
- GU: Problems when I run the Gamess,
Demetrio
- GU: non-direct SCF option,
Todd J. Raeker
- GU: Erro Menssage.,
Demetrio A. Da Silva Filho
- GU: Final energy changes when using direct SCF !,
CBORRILL
- GU: How do I allow gamess to run for more than an hour?,
Andrew Horsfield
- GU: Bug for Electrostatic Potential Fitting with PDC option?,
Yue Shi Yi
- GU: Scaling MP2 and MP4 Frequencies,
Michael A. Freitas
- GU: max no. of optimisation steps,
Mika Lindvall
- GU: Choosing symmetry group.,
Demetrio A. Da Silva Filho
- GU: need help fitting charges to ESP (fwd),
bruno
- GU: PDC fix (fwd),
Garry Smith
- GU: EMT Trap?,
Nien-Hui Ge
- GU: 2nd order Density Matrix,
Xavier Fradera i Llinàs
- GU: New GAMESS Version,
Gotthard Saghi-Szabo
- GU: compatibility problems,
Paul Ecker
- GU: Se Calcs: get different result using N31 and BC???,
Andrew R. Cook
- GU: To run Linux in Cyrix machine,
Tsan Lay, Department of Chemistry, NJIT, Newark, NJ07102, phone: 201-642-7179. Bozzelli Thermodynamic & Kinetic Research Group
- GU: Problem with DMA,
Juan Frau
- GU: How to calc trans. dipoles and osc. strengths from MP2 runs,
Andrew R. Cook
- GU: CI in ab initio,
YNADI
- GU: UNIX systems call in Fortran source code,
Paul Ecker
- GU: Using Loadleveler,
Simone de Lima Martins
- GU: gamess and tcgmsg on Linux ELF,
Juan Casero
- GU: status of TCGMSG under Linux?,
Allen Adler
- GU: Good book on introductory computational chem.,
Juan Casero
- GU: Problem with scr files...,
Alejandro Parra
- GU: Installation of gamess on Linux / g77,
Tamio Tsukamoto
- GU: organic radicals with 30 or less heavy atoms,
GOSTOWSKIR
- GU: Cray cf90 compiler problem,
Paul Ecker
- GU: Optimising positions,
orcaro
- GU: error? -help,
sol
- GU: Dummy atoms,
orcaro
- GU: GAMESS Input File Problems,
Stephen P. Molnar
- GU: Question on MP2 runs,
Steve Bennett
- GU: ICHARG=?? for Zwitterionic Species?,
Stephen P. Molnar
- GU: symmetry problem with IRC calcs ?,
Patrik Johansson
- GU: Gamess on Linux,
Y. Tantirungrotechai
- GU: IRC bifurcation/symmetry problem,
Jan Jensen
- [no subject],
Juan Casero
- Re: GU:GAMESS on Linux -> GAMESS on MS DOS,
sol
- GU: printing ESP.,
Sérgio Emanuel Galembeck
- GU: Parallel MCSCF...,
Alejandro Parra
- GU: Output error on Linux,
Y. Tantirungrotechai
- GU: Intermittant Problem,
Stephen P. Molnar
- GU: Compiling in Linux,
Alan Aspuru Guzik
- GU: Problems with symmetry,
Ramon Sayos
- GU: Z matrix problem,
Anthony O'Dea
- GU: help MCSCF and effective fragment,
Paul Ecker
- GU: missing MCQDPD module,
Paul Ecker
- GU: Non-default Values for PLTORB and MOLPLT,
smolnar
- GU: LCD. How to use?,
Sergio Emanuel Gelembeck
- GU: Grids,
Fred Salsbury
- GU: bsse,
pino
- GU: Re: Linux-SMP on Dual-PPro 200,
Elmer Valderrama
- GU: How to adjust parameters for Direct FField calculation,
Y. Tantirungrotechai
- GU: ESP/charge - MP2/6-31G*//HF/6-31G*,
T. Chyau Liang
- GU: internal coordinate - hessian,
Malisa Chiappero
- GU: hessian with internal coordinate,
Malisa Chiappero
- GU: Transition state calculation with colinear atoms,
EARNSHAW,Chris AgrEvo CHM CHP
- GU: counterpoise bug in (31 Oct 96) GAMESS?,
Robert Hinde
- GU: install size (fwd),
Gotthard Saghi-Szabo
- GU: READ THIS,
Juan Jose Casero
- GU: BSSE calculations,
Todd J. Raeker
- GU: CI-gradient,
Xavier Fradera
- GU: Linux problem,
BoB lesuer
- GU: Linux problem solved,
BoB lesuer
- GU: Gamess GUI,
tpthoms
- GU: Aplogy for READ THIS,
Juan Casero
- GU: Xwindows plotting of AIMPAC output,
brian
- GU: The PC GAMESS v. 4.1 is available (fwd),
Gotthard Saghi-Szabo
- GU: Sporadic I/O error on Cray Y-MP,
Andrew L. Cooksy
- [no subject],
Andrew L. Cooksy
- GU: GAMESS and NBO_4.0,
Matthias Mann
- GU: Transition moments,
Walter J. Stevens
- GU: Pentium II bug and GAMESS,
Steve Bennett
- GU: Pentium II, benchmarks and observations,
Steve Bennett
- GU: Problem with graphics programs,
Stephen P. Molnar
- GU: Normal modes matrix,
Edgar Daza Quimica UNALCOL
- GU: PC GAMESS and DUN-04011 bug,
gran
- GU: GAMESS input question,
Hr. Dr. S. Shapiro
- GU: Answer to query,
Hr. Dr. S. Shapiro
- GU: A GVB and MCSCF problem.,
b_duke
- GU: MP2 properties,
Edgar Daza Quimica UNALCOL
- GU: Installing GAMESS on ALPHA/Linux,
Thomas Dargel
- GU: Problem with running GAMESS on Alpha/Linux,
Thomas Dargel
- GU: Error on a PC GAMESS (with example files),
Jaran Jai-nhuknan
- GU: Punch file for $VEC card,
Shiang-Tai Lin
- GU: SCF does not converge with PCM calc.,
USUI Satoshi
- GU: Summary: Problem w. running GAMESS on Alpha/Linux,
Thomas Dargel
- GU: Chapter 2: Installing Gamess on an old RS6k (Long Story),
Thomas Burkholder
- GU: Chapter 3: Installing Gamess on an old RS6k (Long Story),
Thomas Burkholder
- GU: About Eigenvectors,
Roberto Rivelino de Melo Moreno
- GU: Help on spin density,
Y. Tantirungrotechai
- GU: bsse & symetry problems,
Dariusz Martynowski
- GU: Problems with setting up a MCQDPT calculation,
Slawomir Janicki
- GU: MCSCF excitated state- GAMESS,
Malisa Chiappero
- GU: MCSCF excitated state,
Kurt Glaesemann
- GU: constrain variables to equivalence w/o sym?,
Dawn Friedman
- GU: Spin Contamination,
Raymond C. Fort, Jr.
- GU: building graphics programs for GAMESS under Linux,
Glenn Johnson
- GU: The PC GAMESS v. 4.3 is available,
gran
- GU: PCM calculations.,
qiang
- GU: empirical dispersion/repulsion in PCM,
Qiang Cui
- GU: PCM core dump,
Kurt Glaesemann
- GU: GAMESS stops because of I/O,
Tao Ke
- GU: Restart,
Thomas Burkholder
- GU: Restart error,
Thomas Burkholder
- GU: Re: The PC GAMESS user,
Faustov Valery I.
- GU: compiling GAMESS on sgi O2,
pino
- GU: Problem with mcqdpt,
Slawomir Janicki
- GU: Symmetry of atoms,
Paul Ecker
- GU: MCQDPT gradients?,
Slawomir Janicki
- GU: Another MCQDPT question,
Slawomir Janicki
- GU: MCSCF & MP2,
Rafael Rodriguez Pappalardo
- GU: Error with GAMESS for LINUX,
Leisser Klaus
- GU: Error while reading $DATA,
Paul Ecker
- GU: Gamess on Beowulf/PC Cluster?,
Chris Harwell
- GU: Re: Error with GAMESS for LINUX,
Alexander Klinsky
- GU: MCSCF,convergence,
Malisa Chiappero
- GU: SUMMARY, MCSCF excitated state,
Malisa Chiappero
- GU: compiling GAMESS on pclinux,
pino
- GU: Cavity in PCM,
Shiang-Tai Lin
- GU: RHF on water...,
Alejandro Parra
- GU: Transition moment calculation,
Florian Dufey
- GU: gamess to unichem?,
Kathy Gates
- GU: Which is faster Direct SCF or Non-Direct SCF,
Laurence Lavelle
- [no subject],
Gautham Nadig
- GU: fixing torsion angles,
Glenn Johnson
- GU: All-electron basis set higher than 3-21G* for Ni.,
Laurence Lavelle
- GU: Finding saddle point of water dimer.,
Raymond Fellers
- [no subject],
Gautham Nadig
- GU: symmetry in MCSCF,
Andrew Cooksy
- GU: help,
Gautham Nadig
- GU: UHF Singlet Problem,
redandr
- GU: Postdoc position available,
Jan H. Jensen
- GU: Partial charge calculation,
Serge Crouzy
- GU: transition density matrix,
Gary Bent
- GU: Problems with GAMESS on O200,
Slawek Janicki
- GU: ROHF - Problem...,
Evandro M. S. Ribeiro
- GU: MacMolPlt 4.6.3 released,
Brett Bode
- GU: Gamess on Alpha/Linux,
Germund Hojer
- GU: splitting of the *.F16 file??,
Txema Mercero
- GU: MCQDPT calculations with solvation,
Adam Liwo
- GU: Re: MCQDPT calculations with solvation,
Slawek Janicki
- GU: New gamess version - January 06, 1998,
Gotthard Saghi-Szabo
- GU: GAMESS new user,
Alexandre Martins Dias
- GU: mcqdpt,
Gary Bent
- GU: warning during creation of $hess data,
Holger Thiesemann
- GU: time limit,
Andy Williams
- GU: General questions on hardware & QM calculations,
Laurence Lavelle
- GU: PC GAMESS status specifier error,
David Baker
- GU: The PC GAMESS version 4.4 is available,
gran
- Re: GU: PC GAMESS status specifier error (fwd),
Gotthard Saghi-Szabo
- GU: compiling on Linux with egcs (g77),
Robert Williams
- GU: Type mismatches at compile time.,
Robert Williams
- GU: Improved Virtual Orbitals ?,
Evandro M. S. Ribeiro
- GU: dgemm benchmarks for axp Linux and Dec Unix,
Robert Williams
- GU: Spin densites from correlated wavefunction,
Y. Tantirungrotechai
- GU: Error in 2-DM for He?,
David Mazziotti
- GU: spin coupling constants,
Anne-Marie Kelterer
- GU: Error in CI DM2?,
Kurt Glaesemann
- GU: Re: dgemm benchmarks for axp Linux and Dec Unix,
Robert Williams
- GU: MCSCF and diffuse functions,
Slawek Janicki
- GU: Error in 2-RDM for He?,
David Mazziotti
- GU: Dual Processor Pentium II?,
Thomas Burkholder
- GU: Re: Dual Processor Pentium II?,
Slawek Janicki
- GU: CI/MCSCF,
Slawek Janicki
- GU: GAMESS on SGI,
Shiang-Tai Lin
- GU: linear bend & chosen internals,
Fabrice Leclerc
- GU: surface scan,
Paul Ecker
- GU: PM3 Li parameters in GAMESS?,
Dawn Friedman
- GU: linear bend & chosen internals (2),
Fabrice Leclerc
- GU: constraints with effective fragments,
Fabrice Leclerc
- GU: Adding semiempirical parameters,
Dawn S Friedman
- GU: Re: CCL:Summary: Linux versus win NT for running GAMESS,
Chris Harwell
- GU: Effective Fragment ...,
Qiang Cui
- GU: Comp Chem Newbie,
BoB lesuer
- GU: Making Linux Gamess run faster,
Matthew Asplund
- GU: TDHF calculations and SHG,
Timothy Corcoran
- GU: How do I excite an electron?,
timothy giese
- GU: Mulliken Populations and Geometry Optimizations of Excited States,
timothy giese
- GU: Large ab initio (scratch) files in HyperChem 5.1,
Laurence Lavelle
- GU: Compilation on linux,
Sergio Galembek
- GU: Spin-orbit w/ transition moments,
A Brown
- GU: MOLGRF,
P Spencer Davis
- GU: How to generate input for AIM,
Y. Tantirungrotechai
- GU: Warning: biradical with SOSCF and DIIS.,
ANDREW RYZHKOV
- GU: using 5 d functions and 7 f functions,
Gary Bent
- [no subject],
Robert Zellmer
- GU: MCSCF WARNING CORE - ACTIVE GAP,
Rolfe G. Petschek
- Re: GU: Corresponding MO (expand.f source code),
Robert Zellmer
- GU: Integrals,
Angelo Marconi Maneiro
- GU: Linuxpc: errors in symorb,
Christian Mück-Lichtenfeld
- GU: Scale factor for CASSCF freq and ZPE?,
Slawek Janicki
- GU: Help !,
Rodrigo Sal
- GU: Entering basis sets,
A Brown
- GU: rotate dihedral,
Rudy Gostowski
- GU: Survey,
Sandy Jeffers
- GU: Morokuma-Output,
Christian Mück-Lichtenfeld
- GU: fatal error,
François Yves Dupradeau
- [no subject],
Roberto Rivelino de Melo Moreno
- GU: Irreps specifications in gamess,
Roberto Rivelino de Melo Moreno
- GU: Problem with Phosphorous,
Stephen P. Molnar
- GU: PC GAMESS version 5.0 is available,
gran
- GU: 1- and 2-e integrals,
Florian Dufey
- GU: question about $EFIELD,
MARYJO
- GU: Parallel GAMESS script question,
Slawek Janicki
- GU: SOSCF orbital gradient & convergence,
Robert Zellmer
- GU: Problems with Lam61 MPI,
spencer davis
- GU: Double excitation on H2,
Alejandro Parra
- GU: equilibrium geometry located?,
Vladimir N. Volkov
- GU: Bond restriction?,
Soon Hyeok Hong
- GU: MOPAC internal coordinates,
Rudy Gostowski
- GU: Re: MOPAC internal coordinates,
Vladimir N. Volkov
- GU: Bond restriction?-resent..,
Soon Hyeok Hong
- GU: Re: Bond restriction?-resent..,
Boris Zhmud
- GU: CPU limit exceeded,
aldo
- GU: Spin-Orbit coupling problem,
uccaphc
- GU: $ECP group information,
Roberto Rivelino de Melo Moreno
- [no subject],
aldo
- GU: f-functions,
val
- GU: Normalization of SCF-wavefunctions obatined from GAMESS-US?,
Oliver Kroneisen
- GU: $POINTS group input problems,
Alexander Klinsky
- GU: Small G-matrix,
aldo jongejan
- GU: Question about transition density...,
George Heard
- GU: Direct MCSCF,
Nils Bokermann
- GU: Irreps for metal atoms,
Roberto Rivelino de Melo Moreno
- GU: MCSCF-File-Size,
Nils Bokermann
- GU: a question,
Chis Vasile
- GU: G-matrix and Natural Internal Coords,
aldo
- GU: Different basis sets for different atoms?,
Mike Peleah
- GU: Core hole States,
brian
- GU: Transition metal,
Liu Xinying
- GU: Fermi Contacts,
Anne-Marie Kelterer
- GU: How to change number of iterations?,
Beda Kosata
- GU: Dynamic Memory,
Angelo Marconi Maneiro
- GU: Visualisation programm for GAMESS/US [WIndows9x/NT / DOS],
Mike Peleah
- GU: PC-GAMESS under Windows 98,
Boris Zhmud
- GU: How do I animate vibrations ?,
Postgrad_Student
- GU: vibrational animation,
Postgrad_Student
- GU: Fix some parameters for geometry optimisation.,
Mike Peleah
- GU: Getting GAMESS running on RedHat Linux,
James Robertson
- GU: Spin-density,
Red Hat Linux User
- GU: Basis sets,
Mike Peleah
- GU: Hydrogen bond calculations in GAMESS,
Mike Peleah
- GU: Summary: Getting GAMESS running on RedHat Linux,
James Robertson
- GU: MO plot problem under W95,
Mike Peleah
- GU: Re: MO plot problem under W95,
Sйrgio
- GU: nuclear charges ...,
Txema Mercero
- GU: Mulliken population analysis,
Navindra Gunawardena
- GU: Getting GAMESS to run in MPI parallel under Linux,
James Robertson
- GU: Lowdin and Mulliken,
Navindra Gunawardena
- GU: Gamess under Alpha linux,
b_duke
- GU: Good news - DFT will be included!,
Ilfir R. Ramazanov
- GU: Units of STANDV integrals,
Ben Webb
- GU: Point charge / efrag problem,
stefand
- GU: max # of fragments (point charges)?,
stefand
- GU: table of eigenvalues possible?,
stefand
- Re: GU: point charges, one more time,
stefand
- GU: [Q] keeping AOINT in memory not disk ?,
stefand
- GU: Problems mit with symetry,
Nils Bokermann
- GU: Tayloring / limiting output ?,
stefand
- GU: $GUESS GUESS=MOSAVED the useful of this :comand?,
dub
- GU: EFRAGS don't like me, please help!,
stefand
- GU: coordinate transformation,
mauricio esguerra neira
- GU: Building on RedHat Linux 5.0 fails,
stefand
- GU: Building on RedHat Linux 5.0 fails (ii),
stefand
- GU: atom reorientation,
Mauricio Esguerra
- GU: Building on RedHat Linux 5.x fails (iii),
stefand
- GU: thank you,
mauricio esguerra neira
- GU: Building on RedHat Linux dies in #19,
stefand
- GU:gamess and linux,
Bjoern Pedersen
- GU: Timings for test suite ?,
stefand
- GU: Compiling on PC linux.,
b_duke
- GU: natural internal coordinates,
Beda Košata
- GU: Succesfull scripts for RedHat 5.1 with parallel support,
Fanis Kalatzis
- GU: Time warp on HP-UX ?,
stefand
- GU: dihedral constraining and driving,
Navindra Gunawardena
- GU: SURFACE run and Force constants?,
Florian Dufey
- GU: Use of 'pure' basis functions,
Jim Kress
- GU: BLAS libraries under Linux,
Florian Dufey
- GU: huckel for Zn,
Qiang Cui
- GU: freezing coordinates and external bases set,
val
- GU: EFIELD option,
MARYJO
- GU: units for electric field,
Chris Harwell
- GU: #2: IFREEZ + external bases set,
val
- GU: DRAFT FAQ: Gamess under Linux.,
b_duke
- GU: DRAFT FAQ: Gamess and Linux.,
b_duke
- GU: A Saddle Point Run.,
ggallup
- GU: MP2 and stationary point,
Ezequiel Quintana Morales
- GU: Thanks and a $SURF question,
Ezequiel Quintana Morales
- GU: IRC RESTART problem,
val
- GU: Download new 3D-Viewers for GAMESS, AMPAC,...,
Ilfir R. Ramazanov
- GU: FAQ: Gamess and Linux plus list archives.,
b_duke
- GU: FAQ: Gamess and Linux - more details.,
b_duke
- GU: [Q] How to freeze _certain_ orbitals ?,
Stefan A. Deutscher
- GU: little gmshelp suggestion,
Stefan A. Deutscher
- GU: [Q] time reports on SP-2 in parallel?,
Stefan A. Deutscher
- [no subject],
Edgar Daza Quimica UNALCOL
- GU: Summary : Installing Gamess on Alpha/Linux,
Jin-Koo Kang
- GU: List website,
Gotthard Saghi-Szabo
- GU: Problem with gamess on SuSE 6.0,
Fanis Kalatzis
- GU: [Q] pltorb postscript question,
Stefan A. Deutscher
- GU: specifying an explicit core portential,
Alex Achenbach
- GU: parallel gamess dependence on internode com. speed,
Chris Harwell
- GU: pgcc-1.1.2 - first impression,
eugene . leitl
- GU: [Q] building gamess on 4 cpu UltraSparc?,
Stefan A. Deutscher
- GU: frequency calculation in the PCM,
Shiang-Tai Lin
- GU: Additions to my Gamess web pages.,
Brian Salter-Duke
- [no subject],
Oleg Boldenkov
- GU: "extra contributions" in d- and f- functions,
Oleg Boldenkov
- GU: [Q] Using EFRAG/POLARIZABLE POINTS and C2V Symmetry ?,
Stefan A. Deutscher
- GU: Gamess-Users Homepage,
pobmelat
- GU: input question,
Sandra Antunez
- GU: PC GAMESS version 5.2 is available,
gran
- GU: rotation of $VEC,
Jordi Villa
- GU: question on electrostatic potential calculations,
Chris Liang
- GU: Please help me !!!,
san
- GU: [Q] keeping Hamiltonian in memory?,
Stefan A. Deutscher
- [no subject],
Joe Lin
- GU: File size limits (AIX and Linux),
Stefan A. Deutscher
- GU: Re: File size limits,
Boris Zhmud
- GU: size consistency of MCQDPT,
Matthias Hofmann
- GU: MCQDPT2,
Dr. Kurt R. Glaesemann
- GU: Re: 1GB files in AIX,
Stefan A. Deutscher
- GU: [Q] printing out the Hamiltonian matrix ?,
Stefan A. Deutscher
- GU: MCQDPT question,
Matt Braunstein
- GU: MCDQPT2,
Dr. Kurt R. Glaesemann
- GU: Surface charge distribution in PCM,
Shiang-Tai Lin
- GU: One-electron energy ...,
san
- GU: SCF-MI,
Postgrad_Student
- GU: molecule orientation,
Chris Harwell
- GU: Basis sets on ghost atoms,
Florian Dufey
- GU: COORD=FRAGONLY not existant?,
Florian Dufey
- GU: Parallel PC GAMESS - announce of the beta test program,
gran
- GU: Re: Parallel PC GAMESS - announce of the beta test program,
Vasile CHIS
- GU: (no subject),
KONG, Xiangyang
- GU: Beta test posts,
Dr. Kurt R. Glaesemann
- GU: PCM and dir-SCF,
Qiang Cui
- GU: GAMESS compilation under linux,
Florian Dufey
- GU: Mailing list archive where?,
Florian Dufey
- GU: Re: GAMESS compilation under linux,
Fanis Kalatzis
- GU: GAMESS compiled, but still not working,
Florian Dufey
- GU: Compiling GAMESS under Linux - Webpage available,
Matthias Mann
- GU: STOP when running examples,
Florian Dufey
- GU: SOCC Calculations,
Michael W Cooley
- GU: Fix for problem "YOU MUST ASSIGN GENERIC NAME INPUT WITH A SETENV",
Florian Dufey
- GU: SOCC with NUMVEC=2,
Mike Cooley
- DON'T DELETE THIS MESSAGE -- FOLDER INTERNAL DATA,
Mail System Internal Data
- GU: Re: Fix for problem "YOU MUST ASSIGN GENERIC NAME INPUT WITH A SETENV",
Fanis Kalatzis
- GU: Error in Compiling Gamess Source Code,
Bill Richardson
- GU: GAMESS on Redhat 6.0,
Duncan Grove
- GU: Re: GAMESS on Redhat 6.0,
Fanis Kalatzis
- GU: Linux Installation Problems,
Bill Richardson
- GU: Spin density from a GUGA calculation?,
Slawomir Z. Janicki
- GU: Using MPICH MPI libraries, RedHat 6.0, and Gamess 2/98...,
Guillermo Moyna
- GU: Summary: Spin density from a GUGA calculation?,
Slawomir Z. Janicki
- GU: GAMESS and UV-Vis spectra,
Mike Peleah
- GU: [Q] heat of formation,
Jeongho Cha
- Re: GU: Using MPICH MPI libraries, RedHat 6.0, and Gamess 2/98...,
San Ko
- GU: $LOCAL for localized orbitals,
Bill Richardson
- GU: RH6.0 and parallel GAMESS using TCGMSG,
Wojciech Szefler
- GU: GAMESS on SGI IR10000,
WeiQuan Tian
- GU: How to specify 6-311++G** basis set in gamess input,
Paulo Couto
- GU: Another installation question,
BoB LeSuer
- GU: Still more problems,
BoB LeSuer
- [no subject],
Xρηστος Mακεδονας
- GU: W-Mo-Pt,
Xρηστος Mακεδονας
- GU: relativistic correction,
Alan Streater
- GU: Decart style optimization... Why?,
Ilfir R. Ramazanov
- GU: compilation error for tools,
Zhang Xinhuai
- Re: GU: File size limits (AIX and Linux) again,
Txema Mercero
- GU: GAMESS (Aug-99) with MPI-Linux,
Guillermo Moyna
- GU:MCSCF and excited states,
Guillaumont 4405821 Dominique
- GU: Athlon procesor,
Jesus Orduna
- GU: Simple question,
David M. Schrader
- GU: Compiling GAMESS in SGI,
fernando mota
- GU: LCD Calculation,
fernando mota
- GU: Problem Linking GAMESS object files,
Stephen P. Molnar, Ph.D.
- GU: Mime-Version: 1.0,
Stephen P. Molnar, Ph.D.
- GU: Date: Tue, 23 Nov 1999 10:19:42 +0530 (IST),
Students of Dr. S.R. Gadre
- GU: compiling on Linux,
J Tal
- GU: SIMOMM Method,
Stephen P. Molnar, Ph.D.
- GU: atom electron densities,
Mathy Froeyen
- GU: molplt graphics,
Tadeusz Wasiutynski
- GU: Problem running GAMESS on AIX4,
Joao Otavio M A Lins
- GU: Excited state geom. optimization,
Chien Siu Hung
- GU: How to calculate the optical transition energy?,
shin_satou
- GU: how is CI density-matrix ordered?,
Uwe Hergenhahn
- GU: MP2 energy failure,
val
- GU: GAMESS on alpha linux,
Gotthard Saghi-Szabo
- GU: Gamess and Compaq linux fortran,
Udvardi Laszlo
- GU: f2c.h file not found in redhat 6.1,
François Yves Dupradeau
- GU: Re: f2c.h file not found in redhat 6.1,
Oleg Boldenkov
- GU: SOSCF,
Bill Richardson
- GU: Optical transition energy between different state multiplicity.,
shin_satou
- GU: GAMESS output confirmation,
Yong-Wang Li
- GU: MCSCF/work15,
Andreas Goeller
- GU: Unknow user Problem,
Bill Richardson
- GU: internal coordinates in $ZMAT,
Florian Dufey
- GU: Conversion from internals to cartesians didn't converge,
Florian Dufey
- GU: Two Interacting Triplet Species,
Chien Siu Hung
- GU: Gamess on Beowulf,
Robert Williams
- GU: Ferrocene in GAMESS problem,
Mike Peleah
- GU: 33rd MWTCC,
Jan H. Jensen
- GU: PLTORB,
Bill Richardson
- GU: Spin contamination-summary,
Vasile CHIS
- GU: Initial guess,
BOUYER Frédéric 153746
- GU: Re: Initial guess,
BOUYER Frédéric 153746
- GU: Graphical outputs,
BOUYER Frédéric 153746
- GU: Graphical outputs: summary,
BOUYER Frédéric 153746
- [no subject],
BOUYER Frédéric 153746
- GU: Too many iterations in the CPHF routine,
BOUYER Frédéric 153746
- GU: Problem with Gamess-Version Nov99 under OpenVMS/Alpha 7.1,
Eberhard Heuser-Hofmann
- GU: NBO by Reed/Weinhold,
Gernot Katzer
- GU: Hydrogen Atom,
Stephen P. Molnar, Ph.D.
- GU: Antiferromagnetic calculations,
T. M. Briere
- GU: Gamess for G4 ?,
BOUYER Frédéric 153746
- GU: Problem solved with Gamess-Version Nov99 under OpenVMS/Alpha 7.1,
Eberhard Heuser-Hofmann
- GU: EFP anybody got it working ?,
Jens Schamberger
- GU: H2O and 6-31G(d)?,
Frank Wennmohs
- GU: test,
Tom Kuppens
- GU: pgf77 & gamess march-25-2000 anyone?,
charwel
- GU: IRC calculation,
Li, Tao
- GU: GU Summary: PGI on linux i386 & gamess march 25,2000,
charwel
- GU: CASSCF/Numerical Hessian convergence problems,
Eric C. Brown
- GU: an announcement of interest to gamess-users,
Students of Dr. S.R. Gadre
- GU: Non convergence in MP2 calculation,
BOUYER Frédéric 153746
- GU: CI on degenerate orbitals,
Eduardo Lemos de Sa
- GU: Using external basis sets with Z-matrix,
Account for GAMESS list
- GU: spin-density in MCSCF,
Udvardi Laszlo
- GU: the PC GAMESS version 6.0,
gran
- GU: Hessian Calculation crashes,
Bhupendra Wakankar
- GU: Greetings - Windows98 and GAMESS,
VictorB
- GU: Monte Carlo ?,
Jens Schamberger
- GU: gamess dies on ibm sp not on pc cluster?,
Chris
- GU: MP2 wavefunction,
Petar M. Mitrasinovic
- GU: Constrained geometry search,
Germund Höjer
- GU: ROHF-MP2 density,
Slawomir Z. Janicki
- GU: NBBP and 3-center bonds,
Slawomir Z. Janicki
- GU: atoms less then 0.1 apart,
Valery Kuzmin
- GU: frequencies,
George Papamokos
- GU: Re: Natural internal coordinates,
Mariusz Sterzel
- GU: Natural Bond Orbitals,
Mozart Pimentel
- GU: Installing GAMESS; actvte.code,
Bill Richardson
- GU: Re: Download,
kmb
- GU: ROHF and Fock matrix,
Slawomir Z. Janicki
- GU: UHF/MP2 problem,
Chis Vasile
- GU: compiling gamess on sgi,
Frank Jensen
- GU: Spin-orbit coupling using ECPs,
Fowler Joseph F.
- GU: UV spectra calculation,
Rolf Claessen
- GU: HOMO-LUMO overlap,
Slawomir Z. Janicki
- GU: optimization with fixed internal coordinates,
Dr.Bernhard Mayer
- GU: Copper(I) woes,
Gerry Harbison
- GU: EFP repulsive potential - help,
AVElagin
- GU: GAMESS on Alpha using Quadrics switch,
Robert Zellmer
- GU: Compiling Gamess in Alpha Linux,
Rolando V. Bantaculo
- GU: GAMESS with LAM/MPI unstable?,
Heribert Reis
- GU: DFT in GAMESS,
Eduardo Lemos de Sa
- GU: ZMAT=AUTO natural internal coord for COT,
Dr. Anne-Marie Kelterer
- GU: Force Constant Matrix or Hessian (FCM),
ggallup
- GU: External charges,
Gerry Harbison
- GU: equivalent basis set,
Rolando V. Bantaculo
- GU: geometry optimization,
M.S.Sulatha
- GU: anharmonic effects: VSCF theory,
Andrea G. Alparone
- GU: PC-GAMESS and DFT,
David Bernier
- GU: MNDO ESP,
Alexander Kulak
- GU: running gamess in the background,
Brian Taylor
- GU: GAMESS + Lanthanide series,
Victor Benham, Ph.D.
- GU: Installation of GAMESS under Red Hat Linux 6.2,
Manoj Kumar Singh
- Re: GU: Re: Installation of GAMESS under Red Hat Linux 6.2,
Brian Taylor
- Gamess: IMPORTANT - List information change,
G. Saghi-Szabo
- Gamess: gamess stuff,
Matthew Asplund
- Gamess: Re: RPA in GAMESS,
Geoff Hutchison
- Gamess: reorientation of molecules,
Francois Dupradeau
- Gamess: VSCF calculations,
Daron I. Freedberg
- Gamess: GAMESS: VSCF calculations,
Kurt Glaesemann
- Gamess: Re: GAMESS + Lanthanide series,
Timothy Corcoran
- Gamess: Bond order pop. analysis for semiempirical?,
Karl Irikura
- Gamess: inquiry,
Rolando V. Bantaculo
- Gamess: heat of formation,
Rolando V. Bantaculo
- [no subject],
Daron I. Freedberg
- Gamess: truncated message,
Daron I. Freedberg
- Gamess: Hessian of Lanthanide complexes,
Victor Benham, Ph.D.
- Gamess: too many iterations in CPHF,
Rudolf Herrmann
- Gamess: Summary: Too many iterations in CPHF,
Rudolf Herrmann
- Gamess: MPI and gamess,
Ole W. Saastad
- Gamess: Freezing Coordinates in Optimizations,
Eric C. Brown
- Gamess: Gas Phase Model,
Rolando V. Bantaculo
- Gamess: Tinker module,
Rudolf Herrmann
- Gamess: MCSCF calcualtion under LINUX,
WeiQuan Tian
- Gamess: ISTSYM=2 (was: Hessian with MCSCF),
Rudolf Herrmann
- Gamess: Natural coordinates + Symmetry matrix (i.e. S(ij)),
Victor Benham, Ph.D.
- Gamess: Gamess on IBM-SP2,
Matthew Asplund
- Gamess: Gamess, coordinate system, and symettry problems,
Thoms, Travis
- Gamess: unit for electric field,
Masakazu Nakamura
- Gamess: the linear bend blues,
Timothy Corcoran
- Gamess: fails to run the tests (open failed on a file but which one?),
dule
- Gamess: Selection of basis set,
Thoms, Travis
- Gamess: ghost atoms (again),
Frank Wennmohs
- Gamess: Coordinate frame in GAMESS,
M.S.Sulatha
- Thanks for your input; now a question about output Was: Gamess: Selection of basis set,
Thoms, Travis
- Re: Thanks for your input; now a question about output Was: Gamess: Selection of basis set,
Jim Kress
- Gamess: confused about sign of CI coefficients (re NPRT=2),
Karl Irikura
- Gamess: floating-point arithmetic exceptions,
Rolando V. Bantaculo
- Gamess: erratic output,
Rolando V. Bantaculo
- Gamess: external electric field,
Masakazu Nakamura
- Gamess: Recent question about GAMESS and using GAMESS documentation,
Jim Kress
- Gamess: D7h SCF calculation,
Gernot Katzer
- RE: Gamess: Recent question about GAMESS and using GAMESS documen tation,
Thoms, Travis
- RE: Gamess: Recent question about GAMESS and using GAMESS documen tation,
Jamie M. Rintelman
- Gamess: INP file for MCSCF,
Students of Dr. S. R. Gadre
- Gamess: Where Are The Results?,
Stephen P. Molnar, Ph.D.
- Gamess: Polarizability calculation,
M.S.Sulatha
- Gamess: MP2 wavefunction from GAMESS,
Anatoliy V. Volkov
- Gamess: Max # basis func. on PCM,
Jose Luis Carreon Macedo
- Gamess: stepwise coordinates,
Gary
- Gamess: charge fitting methods,
Jones de Andrade
- Gamess: Problem with Linux,
Alexander Martins
- Gamess: DFT B3LYP ?,
Gary
- Gamess: BSSE Superposition error,
Beata Paluchowska
- Gamess: Portland compiler on linux,
Brian Salter-Duke
- Gamess: normal modes,
Sonja M. Schwarzl
- Gamess: ESP Grid Problem,
Jones de Andrade
- Gamess: just a try,
Hubert klein
- Gamess: problems running gamess under linux,
Hubert klein
- Gamess: AmberFFC version 1.2,
Francois Dupradeau
- Gamess: Unable to generate principal axes -- why?,
Gernot Katzer
- Gamess: ESP Grid Units in the Punch File...,
Jones de Andrade
- Gamess: will gamess run under SGI's f90?,
Andy Cooksy
- Gamess: B3LYP parameters for similar energies in GAMESS and Gaussian 98,
Eric Brown
- Gamess: PCM Parameters for Mg?,
Sonja M. Schwarzl
- Gamess: Using Portland Compiler with linux.,
Brian Salter-Duke
- Gamess: Gamess and UltraSparc problems,
Thoms, Travis
- Gamess: Security Problem,
Stephen P. Molnar, Ph.D.
- Gamess: Optimization with frozen coordinates,
Gernot Katzer
- Gamess: CSF Occupation Number,
sasha
- Gamess: CSF coefficients in GAMESS,
sasha
- Gamess: hello GAMESS users,
Pascual
- Gamess: Re: The Natural Internal Coordinates.,
Victor Benham, Ph.D.
- Gamess: Problem with SCF convergence,
De Vito David (DIP)
- Gamess: Gamess and DFT?,
Thoms, Travis
- Gamess: Troubles compiling gamess on an UltraSparc,
Thoms, Travis
- Gamess: How many steps in constrained optimization in IRC?,
Rudolf Herrmann
- Gamess: CI COMPUTATION DID NOT CONVERGE, JOB CANNOT CONTINUE,
Jorge Luis LLanio Trujillo
- Gamess: Force matrix,
Jorge Luis LLanio Trujillo
- Gamess: Exponents/contraction coefficients,
Gerard Harbison
- Gamess: Never mind!,
Gerard Harbison
- Gamess: B matrix,
Jorge Luis LLanio Trujillo
- Gamess: Linux Gamess chokes on SCF I/O.,
Thoms, Travis
- Gamess: problems running the test-examples,
Diana Nanu
- Gamess: help,
NMR Facility
- Gamess: $VEC in OPTIMIZE,
Nigel W. Moriarty
- Gamess: performing very large CISD calcs on GAMESS,
Robert Hinde
- Gamess: Summary: What is a reasonable length of time for a DFT geometry o ptimization?,
Thoms, Travis
- Gamess: solvation model,
Francois Dupradeau
- Gamess: SPIN-ORBIT CALCULATIONS,
Corey J Evans
- Gamess: DFT and solvation models in GAMESS,
Diana Nanu
- Gamess: GAMESS && cc-pVDZ basis problem,
Mariusz Sterzel
- Gamess: running GAMESS on SGI OCTANE R12000,
Students of Dr. S. R. Gadre
- Gamess: guess density matrix...,
Students of Dr. S. R. Gadre
- Gamess: Compiling with Intel Fortran Compiler on Linux...,
Pawel Dziekonski
- Gamess: spin-orbit calculations in GAMESS,
Irina Novozhilova
- Gamess: trouble running gamess on IRIX,
L. Eric Greenwade
- Gamess: Wierd GAMESS Error,
Laurence Wood
- Gamess: Mysterious GAMESS Problem...,
Laurence Wood
- Gamess: Open shell MP2,
mariangela
- Gamess: unexpected end of file,
Kenward Vaughan
- Gamess: $FORCE group,
FyD
- Gamess: Mulliken or Lowdin?,
bossi
- Gamess: Problem linking GAMESS Parallel on Sun Cluster,
Mark Zottola - Contractor
- Gamess: GAMESS running on dual processor machine,
Igor Pugliesi
- Gamess: Advise please,
Biswajit Maiti
- Gamess: Eigenbasis projection,
Gerard Harbison
- Gamess: GAMESS Compilation,
FyD
- Gamess: Re: GAMESS Compilation,
FyD
- [no subject],
Iryna
- Gamess: Solvation model and dG,
FyD
- Re: Gamess: High symmetries,
Gerard Harbison
- Gamess: Compile problem: lked, collect2 fails.,
Robert Williams
- Gamess: Crystals and such: force/frequency calculations,
Robert Williams
- Gamess: Compiling Gamess on SuSE 7.2,
Dr. Germund Höjer
- Gamess: PC-Gamess and external basis set,
???? ?????????
- Gamess: Configuration on twin processor linux box?,
Gerard Harbison
- Gamess: Problems with convergence using G98-orbitals in GAMESS,
Heribert Reis
- Gamess: Benchmarking tests ?,
Prasad KM
- Gamess: Ghost-Atoms and Huckel-Guess,
Michael Patzschke
- Gamess: compilling GAMESS,
Fran Muñoz
- Gamess: Compilation of GAMESS on Alpha,
FyD
- Gamess: executing problems,
Fran Muñoz
- Gamess: from Maksym Volobuyev,
Maxim Volobuyev
- Gamess: VSCF question,
Andrea G. Alparone
- Gamess: Memory problem,
Francois Dupradeau
- Gamess: Memory problem on Alpha,
Francois Dupradeau
- Gamess: optimization by using an external basis set,
Andrea G. Alparone
- Gamess: Computer crash...GAMESS e-mails.,
Victor Benham, Ph.D.
- Gamess: GAMESS on Mac OSX,
Gerard Harbison
- Gamess: Transition moment calculation bug?,
Dr. Germund Höjer
- Gamess: MO integrals,
Jörg Rissler
- [no subject],
Iryna
- Gamess: Re: The NATINC program, i.e. Natural Internal Coordinates.,
Victor Benham, Ph.D.
- Gamess: semi-empirical parameters,
Nuno A. G. Bandeira
- Gamess: Relaxed PES scan with GAMESS,
Gregory Shamov
- Gamess: Running Gamess on SP3,
Paresh Jadhav
- Gamess: Optimization problem,
FyD
- Gamess: Question about ACTVTE.code,
David Grant
- [Fwd: Re: Gamess: Question about ACTVTE.code],
David Grant
- Gamess: Reading contents of MOINTS,
David Grant
- Gamess: Packing error,
Rolfe G. Petschek
- Gamess: EFP calculation,
Michael Tallhamer
- Gamess: [Fwd: Reading contents of MOINTS],
David Grant
- Gamess: Help with Symmetry,
Mark Zottola - Contractor
- Gamess: Fw: High symmetries and CSGamess,
Nuno A. G. Bandeira
- Gamess: [Fwd: Re: integral file],
David Grant
- Gamess: [Fwd: [Fwd: Re: integral file]],
David Grant
- Gamess: QMView,
David Grant
- Gamess: larger dimensions in gamess fail,
Robert Williams
- [no subject],
mariangela
- Gamess: Disable spin-orbit coupling,
David Grant
- Gamess: QM/MM calculations,
Valentin Gogonea
- Gamess: Gamess/Scyld,
Gerard Harbison
- Gamess: file size,
George Papamokos
- Gamess: Basis set ordering,
Gerard Harbison
- Gamess: Eigenvector conversion,
Gerard Harbison
- Gamess: linear dependence cutoff in PCGAMESS,
Yuthana Tantirungrotechai
- Gamess: Geometry search problem,
Nuno A. G. Bandeira
- Gamess: MPI under Linux.,
Chris Worley
- Gamess: Problems compiling GAMESS with pgf77,
Matthias Mann
- Gamess: GAMESS termination,
Jose Javier Cuadrado
- Gamess: TDHF with spherical basis + integral-direct,
Heribert Reis
- Gamess: LFS in g77,
Dr. Germund Höjer
- Gamess: Restarting,
Nuno A. G. Bandeira
- Gamess: Lanthanides + Basis sets.,
V.Benham
- Gamess: Bug (Feature?) in Direct MCSCF,
Gerard Harbison
- Gamess: GAMESS: number of states in MCQDPT2 ?,
Karl Irikura
- Gamess: regarding nbo program,
parveen
- Gamess: GAMESS: natural orbitals from MCQDPT2?,
Karl Irikura
- Gamess: Installing GAMESS on IBM P690,
Jyh-Shyong Ho
- Gamess: GAMESS on IBM P690,
Jyh-Shyong Ho
- [no subject],
FyD
- Gamess: Frequency Scaling Factors.,
V.Benham
- Gamess: Scaling frequencies,
Kurt Glaesemann
- Gamess: overcominfg 2Gb file size limit,
Francoise Rogalewicz
- Gamess: geometry optimization of a five membered ring,
Francoise Rogalewicz
- Gamess: Error message,
FyD
- Gamess: Polarization and diffuse functions,
Nuno A. G. Bandeira
- Gamess: GAMESS/Gaussian interface.,
Gerard Harbison
- Gamess: Off Topic: Gaussian98w,
Nuno A. G. Bandeira
- Gamess: [Fwd: ],
Florian Dufey
- Gamess: memory setting,
Dmitry Rozmanov
- Gamess: GAMESS: SCF convergence,
FyD
- Gamess:normalisation,
Matt Watkins
- Gamess: Unique atoms & high symmetries.,
V.Benham
- Gamess: Gamess UV-vis,
Julio A. Seijas
- Gamess: PC GAMESS,
danielo
- Gamess: Best way to fix parameters,
Dmitry Rozmanov
- Gamess: spectroscopic term,
angelo.maniero
- Gamess: Compilation under SGI r5000,
FyD
- Gamess: MP2 with Windows,
Nuno A. G. Bandeira
- Gamess: few questions,
Dmitry Kovalsky
- Gamess: constraints with DLC,
Dmitry Kovalsky
- Gamess: GAMESS: pgi compilation,
FyD
- Gamess: Off-topic - Prof. Pejov,
Nuno A. G. Bandeira
- Gamess: Lanthanide ECP/Basis set,
FyD
- Gamess: basis sets on data group,
Nuno A. G. Bandeira
- Gamess: RedHat 8.0 g77 compilation,
Anne-Marie Kelterer
- Gamess: GAMESS: mysterious error,
Karl Irikura
- Gamess: relativistic corrections,
Nuno A. G. Bandeira
- Gamess: ddikick segfault in Linux,
Thomas R. Burkholder
- Gamess: TS calculation,
sasha
- Gamess: single point vs optimization,
Nuno A. G. Bandeira
- Gamess: Question regarding IRC calculations,
sasha
- Gamess: In Gamess you learn more from Error messages than...,
VCalvoP Ph.D.
- Gamess: compiling gamess for linux-alpha cluster (with fort,ccc),
Joshua Wilkie
- Gamess: Amsterdamn Density Functional,
Gerard Harbison
- Gamess: SDD,
Nuno A. G. Bandeira
- Gamess: a probem with the PCM SPHERES,
Maciej Bobrowski
- Gamess: efc compiler for Gamess on Itanium,
Roberto Bianco
- [no subject],
Clinton Threlfall
- Re: Gamess: Re: your mail,
Clinton Threlfall
- Gamess: Compiling GAMESS under CygWin,
Jesus Orduna
- Gamess: Consistent requirements?,
GORDON A GALLUP
- Gamess: Freezing coordinates,
Clinton Threlfall
- Re: Gamess: Freezing coordinates,
Cristina Kaposta
- Gamess: MR-MP2, numerical gradients,
Berger Raphael
- Re: Gamess: MR-MP2, numerical gradients,
smtp
- Re: Gamess: MR-MP2, numerical gradients,
Berger Raphael
- Re: Gamess: MR-MP2, numerical gradients,
Jamie M. Rintelman
- Re: Gamess: MR-MP2, numerical gradients,
Maciej Bobrowski
- Gamess: B3LYP/6-311++G**,
M. S. Sujatha
- Re: Gamess: B3LYP/6-311++G**,
Cristina Kaposta
- Re: Gamess: B3LYP/6-311++G**,
Gerard Harbison
- Gamess: Interaction Energy calculation,
M. S. Sujatha
- Re: Gamess: MR-MP2, numerical gradients,
Gerard Harbison
- Gamess: MP2,
Cristina Kaposta
- Gamess: Re: optimizing MP2,
smtp
- Gamess: Spherical Harmonics in pcGamess,
smtp
- Re: Gamess: Spherical Harmonics in pcGamess,
Berger Raphael
- Gamess: HINT coordinates,
Cristina Kaposta
- Re: Gamess: HINT coordinates,
Roberto Bianco
- Re: Gamess: Spherical Harmonics in pcGamess,
MATTHEW B WATKINS
- Re: Gamess: Spherical Harmonics in pcGamess,
Alex. A. Granovsky
- Re: Gamess: Spherical Harmonics in pcGamess,
Nuno A. G. Bandeira
- <Possible follow-ups>
- Gamess: Freezing coordinates,
Clinton Threlfall
- Gamess: Compiling GAMESS,
Nuno A. G. Bandeira
- Gamess: Spin density of CASSCF Wavefunction,
Christian Neiß
- Gamess: gamess under cygwin,
Jesus Orduna
- Gamess: GAMESS Installation Instructions for Linux,
Ernst Schumacher
- [no subject],
Pawel Dziekonski
- Gamess: Linux file size (again),
Gerard Harbison
- Gamess: Hyperpolarizabilities using TDHF,
Timothy Corcoran
- Gamess: KCl auger calculation,
Hu Zhengfa
- Gamess: Installation of Gamess in compaq HPC system,
M. S. Sujatha
- [no subject],
M. S. Sujatha
- Gamess: Re:ddikick: Trapped SIGCHLD: Unexpected termination of a child process.,
VCalvoP Ph.D.
- Gamess: Re:,
kcousins
- Gamess: Date: Sat, 1 Mar 2003 21:16:38 +0300,
Alex. A. Granovsky
- Gamess: KCl auger,
Hu Zhengfa
- Re: Gamess:PS vs LINUX,
VCalvoP Ph.D.
- Gamess: >no tools available, despite cygwin.,
VCalvoP Ph.D.
- Gamess: Linker problems,
Gerard Harbison
- Gamess: Gamess under Cygwin Again,
Jesus Orduna
- Gamess: Re: > your machine versus memory.,
VCalvoP Ph.D.
- Gamess: Linux: limit of 2GB file size & PGI,
FyD
- Gamess: >In our Lab, we have our own 19-node Windows,
VCalvoP Ph.D.
- Gamess: HOMO-LUMO help,
Lane Baker
- Gamess: PC-Gamess and Wmpi1.3,
Ernst Schumacher
- Gamess: What's that F?,
VCalvoP Ph.D.
- Gamess: check this input,
zhu
- Gamess: 2 GB limit & PGI under linux,
FyD
- Gamess: Convergence anxiety,
Gerard Harbison
- RE: Gamess: Gaussian basis sets,
Burkholder, Thomas (Chem)
- Gamess: VSCF: inactive keywords? (and other questions),
Karl Irikura
- Gamess: How do you restart a,
Clinton Threlfall
- Gamess: frequency analysis in Gamess,
Dmitry Rozmanov
- Gamess: geometry optimizations,
Clinton Threlfall
- Gamess: PCM calculation under Cygwin,
Dmitry Rozmanov
- Re: Gamess: Basis sets,
VCalvoP Ph.D.
- Gamess: mo Basis sets,
VCalvoP Ph.D.
- Gamess: Debian file size upper limit,
VCalvoP Ph.D.
- Gamess: Parallel Gamess "Strange" Proglem!,
Jones de Andrade
- Gamess: Morokuma decomposition analysis,
Barbara
- Gamess: how to reduce the size of the tempory files ?,
nicole Audiffren
- Gamess: problems with GAMESS optimization,
Jinsong Zhao
- Gamess: Gamess and external basis,
Grupo de Química Computacional
- Gamess: How to give the correct Multiplicity in GAMESS,
Jinsong Zhao
- Gamess: linux-pc: "Connect to kickoff socket by process 0 has failed",
Jerome Levesque
- Gamess: How to add NBO to GAMESS,
Jinsong Zhao
- Gamess: simulated FTIR,
Lane Baker
- Gamess: Semi-empirical optimization,
Socrates de Oliveira Dantas
- Gamess: subscribe,
Jozef Gonda
- Gamess: [Fwd: Problems with nbo],
parveen
- Gamess: parallel MP2 under Linux problem,
Andrey Starikov
- Gamess: PDC keyword,
Michael Patzschke
- Gamess: bug in hess.src ?,
Vyacheslav Sokolov
- Gamess: pp* & np* states,
Dan Thomas Major
- Gamess: PCGamess,
chandran karunakaran
- Gamess: Restarting a sadpoint,
Clinton Threlfall
- Gamess: Password for Gamess Archives,
Angelo R. Rossi
- Gamess: Problem about NBO 3.0 with GAMESS,
Jinsong Zhao
- Gamess: Summary -- problems during GAMESS optimization,
Jinsong Zhao
- Gamess: about the input of basis set,
zhu
- Gamess: problems with DFT Hessian,
Dmitry Rozmanov
- Gamess: Input file format,
Clinton Threlfall
- Gamess: 16 cpu limit on SGI origin 2k?,
chris harwell
- Gamess: GAMESS on MacOSX 10.2.5,
Kevin Cossel
- [Gamess] Diastereoisomers,
chandran karunakaran
- [Gamess] Conical intersection,
Dan Thomas Major
- [Gamess] Problem with coordinates in GAMESS,
Dmitry Rozmanov
- [Gamess] Whatever happened to pc-gamess ?,
Nuno A. G. Bandeira
- [Gamess] Re: Gamess Digest, Vol 1, Issue 15,
chandran karunakaran
- [Gamess] change in calculation speed for Jan 2003 version from Aug 2002 one,
Dmitry Rozmanov
- [Gamess] Extra 3 seconds wasted.,
Shuzhi Wang
- [Gamess] Re: Gamess Digest, Vol 1, Issue 12,
chandran karunakaran
- [Gamess] H2 ground state,
Andre Staudte
- [Gamess] GAMESS on a FreeBSD platform,
Jinsong Zhao
- [Gamess] problem with GAMESS on FreeBSD,
Jinsong Zhao
- [Gamess] failure of parallel gamess,
kcousins
- [Gamess] ia64 itanium2 / sgi altix?,
chris harwell
- [Gamess] Problems to read a gaussian type Z-matrix in GAMESS,
Eduardo
- [Gamess] solved: parallel gamess problems,
kcousins
- [Gamess] Howto change atom number in IRIX 6.5,
Lopez Albarran Pablo
- [Gamess] problems to read the z-matrix in a input file,
Eduardo
- [Gamess] Bond order and valence analyses,
Nuno A. G. Bandeira
- [Gamess] DASORT size limit,
Berger Raphael
- [Gamess] Stability,
FyD
- [Gamess] hessian in internal coordinates,
Dmitry Rozmanov
- [Gamess] Bond order in DFT,
VCalvoP Ph.D.
- [Gamess] SCF failing with DFT,
Andrew Rohl
- [Gamess] Bond Order threshold,
Nuno A. G. Bandeira
- [Gamess] Re: SCF failing with DFT,
Andrew Rohl
- [Gamess] freezing coordinate during optimization,
Dorit Shemesh
- [Gamess] optimization fails,
"Jaehoon Jung"
- [Gamess] Virtual orbital and energies energies,
GORDON A GALLUP
- [Gamess] atomic orbitals,
Seiichiro Tanizaki
- [Gamess] Free radical charge,
chandran karunakaran
- [Gamess] fixing occupation numbers in the input,
michele girlanda
- [Gamess] Free radical,
chandran karunakaran
- [Gamess] atomic orbitals (cont'd),
Seiichiro Tanizaki
- [Gamess] checkpoint from Gaussian to gamess,
chen wrh
- [Gamess] Guess in Gamess,
chen wrh
- [Gamess] Bond dissociation and resonance stabilization energy of free radical,
chandran karunakaran
- [Gamess] molecular similarity from GAMESS results,
kcousins
- [Gamess],
Gholamhassn Azimi
- [Gamess] Large calculations using GAMESS,
Joao Otavio M A Lins
- [Gamess] CISD calculation,
Antonio Vila Vilarinho
- [Gamess] PCM error (Italian?),
kcousins
- [Gamess] PCM problem solved.,
kcousins
- [Gamess] How to fix NIPGRP value,
Murat Cetinbas
- [Gamess] Memory problem,
chen wrh
- [Gamess] Memory for MP2,
Dr. Germund Höjer
- [Gamess] optimisation error,
parveen
- [Gamess] Does gamess support ssh,
Morris M M Law
- [Gamess] parallel GAMESS with different PCUs,
Dmitry Rozmanov
- [Gamess] Heat of formation,
parveen
- [Gamess] PC GAMESS v. 6.3 is available!,
Alex. A. Granovsky
- [Gamess] complitaion problems on IRIX64,
Maciej Bobrowski
- [Gamess] Gamess & Cluster Newbie,
The Matt
- [Gamess] Help Gamess for SCO Unix OS,
R.Holomb
- [Gamess] Different results in Gamess (Linux) and PC Gamess,
Pablo Vitoria
- [Gamess] Who has Gamess compiled for SCO UNIX??????,
R.Holomb
- [Gamess] Who has new version (2003) of Gamess compiled for Windows98??????,
R.Holomb
- [Gamess] Energy unit-conversion to KJ/Mole,
chandran karunakaran
- [Gamess] Re: HOMO energy or IP calculation,
kalapatapu sairam
- [Gamess] Parallel Execution,
Burkholder, Thomas (Chem)
- [Gamess] Standart correlation coefficient (0,89...) for vibration frequency calculation in HF 6-31G basis set not corectly for my As @ Satom????,
R.Holomb
- [Gamess] Re: Gamess in parallel,
Pawel Dziekonski
- [Gamess] test,
Vyacheslav Sokolov
- [Gamess] gamess problem,
Andrea Melchior
- [Gamess] Geometry not converged,
chandran karunakaran
- [Gamess] Geometry converged-NSTEP,
chandran karunakaran
- [Gamess] GVB,
Nuno A. G. Bandeira
- [Gamess] Ref.: Not a Stationary point,
chandran karunakaran
- [Gamess] Ref.:CBS-4 method,
chandran karunakaran
- [Gamess] Ref.: OPTTOL,
chandran karunakaran
- [Gamess] Re: Compilation on MacOS X with Apple BLAS,
Geoff Hutchison
- [Gamess] Heme charge MP2 calculation,
Dmitry Egorov
- [Gamess] gamess on opteron,
Jiří Černý
- [Gamess] Re: gamess on opteron,
Jiří Černý
- [Gamess] RHF SCF CALCULATION does not converge when optimizing EC,
Takefumi SORA
- [Gamess] ROUNDOFF ERROR IN BEND,
Takefumi SORA
- [Gamess] AmesLab FCI code: isn't it too clever?,
Oleg A. Zhikol
- [Gamess] Basis functions make results so different ?,
Takefumi SORA
- [Gamess] Sample MPP Jobs?,
The Matt
- [Gamess] Write 6-311 G Pople's basys with 1 nd polarized function,
R.Holomb
- [Gamess] Help write 6-311 for As and S atoms,
R.Holomb
- [Gamess] incorrect run ... Broken pipe,
R.Holomb
- [Gamess] mpirun and GAMESS Environment Variables,
Angelo R. Rossi
- [Gamess] GRABFF Hessian translation program from Gaussian 94 to Gamess,
R.Holomb
- [Gamess] Help: Bogus Read of a DAF Record,
The Matt
- [Gamess] Why use Gaussian and Gamess programs???,
R.Holomb
- [Gamess] Energy,
R.Holomb
- [Gamess] about NBO,
Nuno A. G. Bandeira
- [Gamess] band gap and wrong bonds,
R.Holomb
- [Gamess] symmetry of electronic states,
V. Kuzmin
- [Gamess] other basis sets,
Clinton Threlfall
- [Gamess] freezing zmatrix coordinates,
Clinton Threlfall
- [Gamess] TZV basis sets needed,
Gerardo Gonzalez
- [Gamess] mcscf calculations,
Dominik Domin
- [Gamess] TZV basis: Posting responses,
Gerardo Gonzalez
- [Gamess] Geometry optimization,
R.Holomb
- [Gamess] Searching for a reasonable optimization level,
Alex Wong
- Re: [Gamess] Band structure!,
d . court
- [Gamess] DMAs Dipoles,
Joanna Bailey
- [Gamess] about the archive DICTNRY,
Eduardo
- [Gamess] aminoacids optimization,
chandran karunakaran
- [Gamess] MOs for Uranium compounds,
Kevin Cossel
- [Gamess] Re: Point Groups,
Andrew Rohl
- [Gamess] gamess in the background,
Imed Mehdaoui
- [Gamess] problems linking gamess on HP-machine,
Imed Mehdaoui
- [Gamess] Eigenvalues of the Hamiltonian,
torsten . schmidt
- [Gamess] Energy Eigenvalues,
torsten . schmidt
- [Gamess] GENERIC NAME DFTGRID WITH A SETENV,
Lopez Albarran Pablo
- [Gamess] small cluster for GAMESS,
Dmitry Rozmanov
- [Gamess] Help,
Silvano Buback
- [Gamess] normal mode projection,
Qiang Lu
- [Gamess] compilation with ifc,
Sergio Emanuel Galembeck
- [Gamess] speed degradation of new releases,
Dmitry Rozmanov
- [Gamess] Idea of ghost atoms,
Alex Wong
- [Gamess] Adiabatic Vs. Diabatic surfaces,
kallush
- [Gamess] minimised coordinates output,
Jorge Iulek
- [Gamess] Help 2,
Silvano Buback
- [Gamess] Linux version of QMolView,
Agache Costel
- [Gamess] Re: QMolView for Linux,
Burkholder, Thomas (Chem)
- [Gamess] Compiling GAMESS with IFC 7.0,
Dmitry Rozmanov
- [Gamess] Aug-cc-pDZV problems,
Antonio Calo
- RE: [Gamess] GAMESS installation,
Johnson, Gregory A
- [Gamess] cray-pvp,
Maciej Bobrowski
- [Gamess] z-matrix,
R.Holomb
- [Gamess] Hessian output files,
Cari Davies
- [Gamess] RE: GAMESS installation,
Andrew Rohl
- [Gamess] RE: Hessian output files,
Cari Davies
- [Gamess] Tempo de execução,
Silvano Buback
- [Gamess] Photodissociation,
Anders Hellman
- [Gamess] Gamess and Mac G5,
ian r gould
- [Gamess] SCF convergence problem,
Julien Chiron
- [Gamess] PC gamess 6.3,
matt watkins
- [Gamess] Number of basis functions,
Nam A. Nguyen
- [Gamess] charge groups, atom type forcefileds,
Lakshmi Padmavathi
- [Gamess] MR-CI ... number of states,
cscpal38
- [Gamess] QMolView 1.3.0,
Agache Costel
- [Gamess] help on Atrazina Molecule,
Carlos Roberto Ueda
- [Gamess] request,
Asit Chandra
- [Gamess] Atom contribution,
Julien Chiron
- [Gamess] pcm calculations in gamess,
Carsten Baldauf
- [Gamess] BSSE calculation fails in MacGamess,
Robert Hinde
- <Possible follow-ups>
- Re: [Gamess] BSSE calculation fails in MacGamess,
VCalvoP Ph.D.
- [Gamess] Geometry Optimisation!,
Mr. Ayan Datta
- Re: [Gamess] Geometry Optimisation!,
Julien Chiron
- [Gamess] BASIS,
Mr. Ayan Datta
- [Gamess] MO plots!,
Mr. Ayan Datta
- Re: [Gamess] MO plots!,
Julien Chiron
- [Gamess] MO plots!,
Mr. Ayan Datta
- Re: [Gamess] MO plots!,
torsten . schmidt
- Re: [Gamess] Geometry Optimisation!,
Nuno A. G. Bandeira
- [Gamess] Point Charge!,
Mr. Ayan Datta
- Re: [Gamess] Point Charge!,
Benjamin G Janesko
- Re: [Gamess] Point Charge!,
Michal Krompiec
- [Gamess] $HESS group format,
Mehdi Bounouar
- Re: [Gamess] BSSE calculation fails in MacGamess,
d . court
- [Gamess] Spin density for MCSCF,
d . court
- [Gamess] test 33 on sun solaris,
Pawel Dziekonski
- [Gamess] Optimization accuracy in GAMESS-US,
FyD
- [Gamess] Geometry Optimisation!,
d . court
- [Gamess] electrostatic surface potential,
M. S. Sujatha
- [Gamess] Jul 3 2003, R1 vs R2,
Dmitry Rozmanov
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Nuno A. G. Bandeira
- <Possible follow-ups>
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Clinton Threlfall
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Clinton Threlfall
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Nuno A. G. Bandeira
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Gerard Harbison
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Nuno A. G. Bandeira
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Gerard Harbison
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Michael Patzschke
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Gerardo Gonzalez
- Re: [Gamess] Jul 3 2003, R1 vs R2,
Clinton Threlfall
- [Gamess] Re: Geometry Optimisation! (Mr. Ayan Datta),
Burkholder, Thomas (Chem)
- [Gamess] BSSE input format ???,
Students of Dr. S. R. Gadre
- Re: [Gamess] $HESS group format,
d . court
- [Gamess] Interpretation of output matrix,
Arvid Requate
- [Gamess] Problem with the tests (under Linux),
Mauro Prencipe
- [Gamess] number of states,
cscpal38
- [Gamess] WinGAMESS,
Nuno A. G. Bandeira
- [Gamess] convergence problem with Pt-Cluster (DFT),
Imed Mehdaoui
- [Gamess] unsuscribe,
Sara Nunez
- [Gamess] Internal coordinates,
Mauro Prencipe
- [Gamess] trouble compiling gamess,
mihan99
- [Gamess] as usual : ddikick problem (sunos),
Anna K Croft
- [Gamess] Win GAMESS,
Nuno A. G. Bandeira
- [Gamess] Magnetic field,
Dr. Georg Lefkidis
- [Gamess] magnetic transition moments,
Dr. Georg Lefkidis
- [Gamess] large calculations,
Nigel W. Moriarty
- Re: [Gamess] MO plots!,
VCalvoP Ph.D.
- [Gamess] MCSCF/MCQPT limits,
Philipp Scherer
- [Gamess] Charge Point Field,
Dr. Georg Lefkidis
- Re: [Gamess] HOMO-LUMO Gap!,
Tapas Kar
- [Gamess] Off topic: new IP,
Nuno A. G. Bandeira
- [Gamess] Transition State location in solution using PCM,
Sudha Dorairaj
- [Gamess] methane on gamess,
glenn millhauser
- [Gamess] memory considaration,
Dr. Georg Lefkidis
- [Gamess] hessian 2 force field.,
Eric Germaneau
- [Gamess] reordering of orbitals,
Dr. Georg Lefkidis
- [Gamess] Number of 2E- Integrals,
Marcin Krol
- [Gamess] external PM3 parameters,
matt watkins
- [Gamess] $OCCS,
Mauro Prencipe
- [Gamess] Orbital ordering,
Mauro Prencipe
- Re: [Gamess] PC-GAMESS problems with SrO4?,
VCalvoP Ph.D.
- [Gamess] Resp Esp charge Derive (RED v-1.0) release,
FyD
- [Gamess] memory limits using EFP model,
Philipp Scherer
- [Gamess] Re: CCL:windows based orbital viewing,
Dmitry Rozmanov
- [Gamess] Basis set for diatomic molecules,
Anders Hellman
- [Gamess] Re: search for the basis for Iodine,
zhu
- [Gamess] CI is not working,
Dmitry Rozmanov
- [Gamess] mail,
Pavlo La
- [Gamess] Howto restart,
Pavlo La
- [Gamess] natural internal coordinates for fused rings,
Jeff Woodford
- [Gamess] script for checking test jobs?,
Karl Irikura
- [Gamess] Scaling Factor for ZPE,
Clinton Threlfall
- [Gamess] MCSCF gradient errors with ia32 version,
Barry K. Carpenter
- [Gamess] gamess+tinker SIMOMM or IMOMM,
Maciej Bobrowski
- [Gamess] About Gamess Compiler Under Linux,
xx liran
- [Gamess] FFIELD,
Mr. Ayan Datta
- [Gamess] parallel gamess question,
Sigismondo Boschi
- [Gamess] Help required for Homo Lumo,
M. S. Sujatha
- [Gamess] transition magnetic moments,
Marco D'Abramo
- [Gamess] dipole moments,
Maciej Bobrowski
- [Gamess] CHELPG in GAMESS,
FyD
- [Gamess] shared libs,
Dr Gavin Seddon
- [Gamess] compiling,
Dr Gavin Seddon
- [Gamess] compilation,
Dr Gavin Seddon
- [Gamess] lked,
Dr Gavin Seddon
- [Gamess] GAMESS under AMD Opteron,
Jiri Czernek
- [Gamess] almost finished,
Dr Gavin Seddon
- [Gamess] rungms,
Dr Gavin Seddon
- [Gamess] ddikick: trapped unexpected termination of a child process,
leizhang
- [Gamess] install,
Dr Gavin Seddon
- [Gamess] Compilation problem with g77 on Octane (IRIX 6.5.18),
Andras . Borosy
- [Gamess] request benchmark input files,
Jim Fohlin
- [Gamess] Compilation problem with g77 on Octane (IRIX 6.5.18) with sgi32,
Andras . Borosy
- [Gamess] qmmm,
Maciej Bobrowski
- [Gamess] question regarding NORMF parameter,
Arvid Requate
- [Gamess] compilation with g77 on IRIX,
Andras . Borosy
- [Gamess] qeigen compilation with g77 on IRIX,
Andras . Borosy
- [Gamess] coefficients of a CIS wave function,
sasha
- [Gamess] Memory requirements,
Nuno A. G. Bandeira
- [Gamess] Re: ddikick: trapped unexpected termination of a child process,
leizhang
- [Gamess] Install - problem with lked,
Tomasz Grabarkiewicz
- [Gamess] do_ud: off end of record,
Andras . Borosy
- [Gamess] GAMESS for athlon 64,
Dimitrios Galanakis
- [Gamess] Intel Fortran 8.0 compilation,
Alessandro Bencini
- [Gamess] compilation with fortran intel 7.1,
Mihai Medeleanu
- [Gamess] Re: Intel 7.1,
PCL41811
- [Gamess] Spin-Orbit calculations with GAMESS,
Brandon S Tackett
- [Gamess] Gamess linking under Cygwin - undefined WunMain@16,
Brian Salter-Duke
- [Gamess] Gamess, Spin-orbit coupling and convergence,
Georg Lefkidis
- [Gamess] Re:Memory requirements,
Andras . Borosy
- [Gamess] intruder states in mrpt,
Alessandro Bencini
- [Gamess] GAMESS on Linux-pc (Intel),
chachi rojas
- [Gamess] QM/MM gamess vs. charmm,
Carsten Baldauf
- [Gamess] complex transition moments,
Georg Lefkidis
- [Gamess] Re: Gamess Digest, Vol 7, Issue 26,
Ivan Rostov
- [Gamess] memory management,
Andras . Borosy
- [Gamess] MS OSs vs unixes,
Andras . Borosy
- [Gamess] 64-bit edition of WinXP.,
Andras . Borosy
- [Gamess] Active space selection,
Georg Lefkidis
- [Gamess] GAMESS runs on MS windows Services for Unix 3.5,
Viktor Pilepic
- [Gamess] CIS calculations,
Alexander Kollias
- [Gamess] spin-orbit calculation,
Georg Lefkidis
- [Gamess] Check of GAMESS installation,
Eugene O'Sullivan
- [Gamess] PC Gamess Question,
PeiQuan Chen
- [Gamess] WinGAMESS R2,
Nuno A. G. Bandeira
- [Gamess] New WinGamess script,
Ernst Schumacher
- [Gamess] MCSCF with GENCI?,
Artem Masunov
- [Gamess] batch script,
Daniel M. Chipman
- [Gamess] Andras Borosy is out of the office.,
Andras . Borosy
- [Gamess] tailor-made basis set,
Theodorus De Bruin
- [Gamess] Opteron,
Frank Jensen
- [Gamess] problems with geometry optimization in GAMESS,
Dmitry Rozmanov
- [Gamess] Re: problems with geometry optimization in GAMESS,
Matt Watkins
- [Gamess] Gamess delays, DFT convergence issues,
Carlos Silva Lopez
- [Gamess] Re: Gamess Digest, Vol 7, Issue 44,
M. S. Sujatha
- [Gamess] properties calculation,
Georg Lefkidis
- [Gamess] Molecular Orbital plotting,
Neil Watkins
- [Gamess] Re: about parallel calculation,
mashaojiesohu
- [Gamess] spin-orbit coupling,
tingxian xie
- [Gamess] gamess on macosx with ibm compilers,
Fabrice Leclerc
- [Gamess] RE: $PCM and nonaqueous solvents,
Washington, G. DR C&LS
- [Gamess] Error during ROHF geometry optimization,
GORDON A GALLUP
- [Gamess] Linux Version different?,
Arvid Requate
- [Gamess] Why this warning appear?,
PeiQuan Chen
- [Gamess] The PC GAMESS version 6.4 release is available,
Alex. A. Granovsky
- [Gamess] new PCgam script,
Ernst Schumacher
- [Gamess] Parallel PC GAMESS v. 6.4 bugfix is available,
Alex. A. Granovsky
- [Gamess] Oscillator strengths,
Artem Masunov
- [Gamess] Force constant matrix,
Laurynas Riauba
- [Gamess] dump core,
Nurzhan Ustemirov
- [Gamess] c6 symmetry in MCSCF,
Maciej Bobrowski
- [Gamess] Exam23 Error,
Matt Thompson
- [Gamess] compall doesn't find sources,
Pavlo La
- [Gamess] dummy atom,
Tamar Ansbacher
- [Gamess] PC GAMESS on Linux 2.6 kernel,
Laurynas Riauba
- [Gamess] about pcgamess-parallel,
mashaojiehotmail
- [Gamess] ddikick on my linux (rh 9) blade cluster,
Richard Alan Lewis
- [Gamess] Problem with MCSCF GUGA in PCGAMESS 6.4,
B.D Allen
- [Gamess] NMR simulations in GAMESS,
David MARSEAULT
- [Gamess] ghost atoms in ccsd calculations,
Sébastien Hamel
- [Gamess] on a linux system,
Robert Cave
- [Gamess] Help with MCSCF excited-state calculation,
xftan
- [Gamess] Error: Spin-Orbit Coupling,
Gopakumar
- [Gamess] MCQDPT,
No. 21
- Re: [Gamess] on a linux system and [Gamess] ddikick on my linux (rh 9) blade cluster,
Richard Alan Lewis
- [Gamess] solvent data for DMF, PC,
Anne-Marie Kelterer
- [Gamess] Hardware choices,
Thomas R. Burkholder
- [Gamess] Dft for hydrogen atom,
Jay Sullivan (NW-Contractor)
- [Gamess] RE: Gamess DFT for H atom,
Jay Sullivan (NW-Contractor)
- [Gamess] SDCI on fairly large molecule,
Jeff Woodford
- [Gamess] runall,
Liqiang J. Wei
- [Gamess] QMolView version 2.0.0,
Agache Costel
- [Gamess] Radial Expectation Values,
Wilton Virgo
- [Gamess] converting mo format from gaussian to gamess,
Lorenzo Dominici
- [Gamess] Question.,
Herbert Georg
- [Gamess] projected force constant matrix,
Ivana Matanovic
- [Gamess] MCSCF density,
Xiaofeng Tan
- [Gamess] estimate the disk storage requirements,
Nurzhan Ustemirov
- [Gamess] basis-set enquiry,
Sudha Dorairaj
- [Gamess] MCSCF restart,
Marco Dabramo
- [Gamess] FVALUE and IFZMAT problem,
Madalin Giambasu
- [Gamess] linkage problem,
Maxim Zakharov
- [Gamess] Molecular Spreadsheet for GAMESS,
Andras . Borosy
- [Gamess] convergence problem,
Lorenzo Dominici
- [Gamess] GAMESS inputs,
Andras . Borosy
- [Gamess] the scripts for Linux+MPI+Myrinet,
Maxim Zakharov
- [Gamess] HOW to convert dos file into linux file,
mashaojiehotmail
- [Gamess] gamess to gaussian or molpro,
Maciej Bobrowski
- [Gamess] can I use a external magnetic field in gamess,
mashaojiehotmail
- [Gamess] libraries problem,
Maxim Zakharov
- [Gamess] transition moment,
glauciob
- [Gamess] I cannot post to the list but I do receive emails...,
gamess-owner
- [Gamess] PCM calculation,
Dr. Maria A. Silva
- [Gamess] Cosmo limit,
Ing. Vojtěch Spiwok
- [Gamess] example of using EXTFIL,
Irene Newhouse
- [Gamess] optimization quit w/o error (aug-cc-pVTZ basis set),
Carrie Brindle
- [Gamess] ECP wiht odd Number of electrons,
Mehdi Bounouar
- [Gamess] PS G98 to GAMESS converter,
Maxim Zakharov
- [Gamess] about EFIELD,
mashaojiehotmail
- [Gamess] Optimization with the calculation of Hessian,
Maxim Zakharov
- [Gamess] Maximum memory available to PC GAMESS: is there a way to overpass the limit?,
Çâ¸çäíûé
- [Gamess] I/O problems,
Maxim Zakharov
- [Gamess] DRC concepts,
Maxim Zakharov
- [Gamess] Q: INOs, generalized contractions,
Arvid Requate
- [Gamess] Gamess basis sets and Molekel,
xftan
- [Gamess] MEMDDI bottleneck for MP2 gradients,
Maxim Zakharov
- [Gamess] Using GUESS=MOSAVED in PCGAMESS 6.4,
B.D Allen
- [Gamess] GAMESS on Opteron/Athlon64,
joydeep . ray
- [Gamess] Constrained optimization,
Panagiotis G. Karamertzanis
- [Gamess] Rotational Constants,
xftan
- [Gamess] Request for GAMESS input files,
joydeep . ray
- [Gamess] Water Calculations problems,
Lesser, Adam B. (2006)
- [Gamess] SCHLEGEL optimization,
Maxim Zakharov
- [Gamess] DRC Calculations,
Álvaro Cimas Samaniego
- [Gamess] New scripts: Cygam, WingRun, RUNpcg,
E. Schumacher
- [Gamess] corrupted zip file,
jaime.arce
- [Gamess] Energies ?,
Adam Lesser
- [Gamess] SMP/cluster setup,
Adam Lesser
- [Gamess] ISPHER in PCGAMESS,
Arvid Requate
- [Gamess] Computing SFG first hyperpolarizability?,
Dan Parks
- [Gamess] Missing basis,
jaime.arce
- [Gamess] Too Many Rows?,
Xiaofeng Tan
- [Gamess] Off-diagonal tensors!,
Mr. Ayan Datta
- [Gamess] problem to change NSTEP in SADPOINT calculations,
Maxim Zakharov
- [Gamess] Exited electronic states calculations,
Сергей
- [Gamess] GAMESSPLUS ?,
Adam Lesser
- [Gamess] WebMO Fix for latest version of GAMESS,
Adam Lesser
- [Gamess] PCM ICENT=1,
Donald Camaioni
- [Gamess] PCgamess error,
jaime.arce
- [Gamess] András Borosy is out of the office.,
Andras . Borosy
- [Gamess] Optimization problem,
anshul
- [Gamess] Re: Request for GAMESS input files,
Nurzhan Ustemirov
- [Gamess] parallel gamess,
anshul
- [Gamess] running gamess in cluster,
anshul
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