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class="mw-page-title-main">GAMESS (US)</span></h1> <div id="p-lang-btn" class="vector-dropdown mw-portlet mw-portlet-lang" > <input type="checkbox" id="p-lang-btn-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-p-lang-btn" class="vector-dropdown-checkbox mw-interlanguage-selector" aria-label="Go to an article in another language. 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<div class="vector-body-before-content"> <div class="mw-indicators"> </div> <div id="siteSub" class="noprint">From Wikipedia, the free encyclopedia</div> </div> <div id="contentSub"><div id="mw-content-subtitle"></div></div> <div id="mw-content-text" class="mw-body-content"><div class="mw-content-ltr mw-parser-output" lang="en" dir="ltr"><style data-mw-deduplicate="TemplateStyles:r1257001546">.mw-parser-output .infobox-subbox{padding:0;border:none;margin:-3px;width:auto;min-width:100%;font-size:100%;clear:none;float:none;background-color:transparent}.mw-parser-output .infobox-3cols-child{margin:auto}.mw-parser-output .infobox .navbar{font-size:100%}@media screen{html.skin-theme-clientpref-night .mw-parser-output .infobox-full-data:not(.notheme)>div:not(.notheme)[style]{background:#1f1f23!important;color:#f8f9fa}}@media screen and (prefers-color-scheme:dark){html.skin-theme-clientpref-os .mw-parser-output .infobox-full-data:not(.notheme) div:not(.notheme){background:#1f1f23!important;color:#f8f9fa}}@media(min-width:640px){body.skin--responsive .mw-parser-output .infobox-table{display:table!important}body.skin--responsive .mw-parser-output .infobox-table>caption{display:table-caption!important}body.skin--responsive .mw-parser-output .infobox-table>tbody{display:table-row-group}body.skin--responsive .mw-parser-output .infobox-table tr{display:table-row!important}body.skin--responsive .mw-parser-output .infobox-table th,body.skin--responsive .mw-parser-output .infobox-table td{padding-left:inherit;padding-right:inherit}}</style><table class="infobox vevent"><tbody><tr><td colspan="2" class="infobox-image logo"><span class="mw-default-size" typeof="mw:File/Frameless"><a href="/wiki/File:Gamess_small.png" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/en/7/77/Gamess_small.png" decoding="async" width="200" height="42" class="mw-file-element" data-file-width="200" data-file-height="42" /></a></span></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Programmer" title="Programmer">Developer(s)</a></th><td class="infobox-data"><a href="/wiki/Iowa_State_University" title="Iowa State University">Iowa State University</a> Quantum Chemistry Group</td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Initial release</th><td class="infobox-data">1 October 1977<span class="noprint">; 47 years ago</span><span style="display:none"> (<span class="bday dtstart published updated">1977-10-01</span>)</span></td></tr><tr style="display: none;"><td colspan="2" class="infobox-full-data"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1257001546"></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Software_release_life_cycle" title="Software release life cycle">Stable release</a></th><td class="infobox-data"><div style="margin:0px;">Apr 20, 2017 / April 20, 2017<span class="noprint">; 7 years ago</span><span style="display:none"> (<span class="bday dtstart published updated">2017-04-20</span>)</span></div></td></tr><tr style="display:none"><td colspan="2"> </td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Written in</th><td class="infobox-data"><a href="/wiki/FORTRAN_77" class="mw-redirect" title="FORTRAN 77">FORTRAN 77</a>, <a href="/wiki/C_(programming_language)" title="C (programming language)">C</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Operating_system" title="Operating system">Operating system</a></th><td class="infobox-data"><a href="/wiki/Microsoft_Windows" title="Microsoft Windows">Windows</a>; <a href="/wiki/Unix" title="Unix">Unix</a>, <a href="/wiki/Unix-like" title="Unix-like">Unix-like</a>: <a href="/wiki/Linux" title="Linux">Linux</a>, <a href="/wiki/FreeBSD" title="FreeBSD">FreeBSD</a>, Mac <a href="/wiki/OS_X" class="mw-redirect" title="OS X">OS X</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Available in</th><td class="infobox-data">English</td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Software_categories#Categorization_approaches" title="Software categories">Type</a></th><td class="infobox-data"><a href="/wiki/Computational_chemistry" title="Computational chemistry">Computational chemistry</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Software_license" title="Software license">License</a></th><td class="infobox-data"><a href="/wiki/Proprietary_software" title="Proprietary software">Proprietary</a> <a href="/wiki/Freeware" title="Freeware">freeware</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Website</th><td class="infobox-data"><span class="url"><a rel="nofollow" class="external text" href="http://www.msg.chem.iastate.edu/gamess">www<wbr />.msg<wbr />.chem<wbr />.iastate<wbr />.edu<wbr />/gamess</a></span></td></tr></tbody></table> <p><b>General Atomic and Molecular Electronic Structure System</b> (<b>GAMESS (US)</b>) is computer <a href="/wiki/Software" title="Software">software</a> for <a href="/wiki/Computational_chemistry" title="Computational chemistry">computational chemistry</a>.<sup id="cite_ref-1" class="reference"><a href="#cite_note-1"><span class="cite-bracket">[</span>1<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-2" class="reference"><a href="#cite_note-2"><span class="cite-bracket">[</span>2<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-3" class="reference"><a href="#cite_note-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-4" class="reference"><a href="#cite_note-4"><span class="cite-bracket">[</span>4<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-5" class="reference"><a href="#cite_note-5"><span class="cite-bracket">[</span>5<span class="cite-bracket">]</span></a></sup> The original code started on October 1, 1977 as a National Resources for Computations in Chemistry project.<sup id="cite_ref-6" class="reference"><a href="#cite_note-6"><span class="cite-bracket">[</span>6<span class="cite-bracket">]</span></a></sup> In 1981, the code base split into GAMESS (US) and <a href="/wiki/GAMESS_(UK)" title="GAMESS (UK)">GAMESS (UK)</a> variants, which now differ significantly. GAMESS (US) is maintained by the members of the Gordon Research Group at <a href="/wiki/Iowa_State_University" title="Iowa State University">Iowa State University</a>.<sup id="cite_ref-7" class="reference"><a href="#cite_note-7"><span class="cite-bracket">[</span>7<span class="cite-bracket">]</span></a></sup> GAMESS (US) source code is available as source-available <a href="/wiki/Freeware" title="Freeware">freeware</a>, but is not <a href="/wiki/Open-source_software" title="Open-source software">open-source software</a>, due to license restrictions. </p> <meta property="mw:PageProp/toc" /> <div class="mw-heading mw-heading2"><h2 id="Abilities">Abilities</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=GAMESS_(US)&action=edit&section=1" title="Edit section: Abilities"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <table class="wikitable sortable" align="right" style="font-size:86%"> <caption style="caption-side: bottom">Summary of some basic GAMESS (US) abilities<br />C – conventional integrals storage<br />D – direct <a href="/wiki/Atomic_orbital" title="Atomic orbital">atomic orbital</a> (AO) integration<br />p – parallel execution<br />F – Fragment MO compatibility </caption> <tbody><tr> <th>SCFTYP= </th> <th><a href="/wiki/Hartree%E2%80%93Fock" class="mw-redirect" title="Hartree–Fock">RHF</a> </th> <th><a href="/wiki/Restricted_open-shell_Hartree%E2%80%93Fock" title="Restricted open-shell Hartree–Fock">ROHF</a> </th> <th><a href="/wiki/Unrestricted_Hartree%E2%80%93Fock" title="Unrestricted Hartree–Fock">UHF</a> </th> <th><a href="/wiki/Generalized_valence_bond" title="Generalized valence bond">GVB</a> </th> <th><a href="/wiki/Multi-configurational_self-consistent_field" title="Multi-configurational self-consistent field">MCSCF</a> </th></tr> <tr> <th>Energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td></tr> <tr> <th>Analytic gradient </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td></tr> <tr> <th>Numerical Hessian </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td></tr> <tr> <th>Analytic Hessian </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Dp </td></tr> <tr> <th>MP2 energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td></tr> <tr> <th>MP2 gradient </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Dp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>CI energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td></tr> <tr> <th>CI gradient </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CD </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>CC energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDF </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>EOM energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CD </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CD </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>DFT energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>DFT gradient </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDp </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>TD-DFT energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>TDDFT gradient </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">CDpF </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>MOPAC energy </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>MOPAC gradient </th> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>MRSF-TDDFT Energy </th> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr> <tr> <th>MRSF-TDDFT gradient </th> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#9EFF9E;color:black;vertical-align:middle;text-align:center;" class="table-yes">Yes </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td> <td style="background:#FFC7C7;color:black;vertical-align:middle;text-align:center;" class="table-no">No </td></tr></tbody></table> <p>GAMESS (US) can perform several general <a href="/wiki/Computational_chemistry" title="Computational chemistry">computational chemistry</a> calculations, including <a href="/wiki/Hartree%E2%80%93Fock_method" title="Hartree–Fock method">Hartree–Fock method</a>, <a href="/wiki/Density_functional_theory" title="Density functional theory">density functional theory</a> (DFT), <a href="/wiki/Generalized_valence_bond" title="Generalized valence bond">generalized valence bond</a> (GVB), and <a href="/wiki/Multi-configurational_self-consistent_field" title="Multi-configurational self-consistent field">multi-configurational self-consistent field</a> (MCSCF). Correlation corrections after these SCF calculations can be estimated by <a href="/wiki/Configuration_interaction" title="Configuration interaction">configuration interaction</a> (CI), second order <a href="/wiki/M%C3%B8ller%E2%80%93Plesset_perturbation_theory" title="Møller–Plesset perturbation theory">Møller–Plesset perturbation theory</a> (MP2), and <a href="/wiki/Coupled_cluster" title="Coupled cluster">coupled cluster</a> (CC) theory. Solvent effect can be considered using quantum mechanics and molecular mechanics through discrete effective fragment potentials or continuum models (such as PCM). Relativistic corrections can be calculated, including third order Douglas-Kroll scalar terms. </p><p>The GAMESS (US) program possesses Resolution-of-the-Identity (RI) approximated methods, which decrease the overall cost of a method by projecting the ERI tensor into three center matrices. The RI approximation has been applied to the MP2 and CCSD(T) methods, respectively. The RI-MP2 and the RI-CC code benefit from a MPI/OpenMP parallelization model allowing for great scaling and fast calculations. </p><p>GAMESS (US) also has a series of fragmentation methods that allow the user to target larger molecular systems by partitioning a large molecule into smaller, more feasible fragments. Examples are the <a href="/wiki/Fragment_molecular_orbital" title="Fragment molecular orbital">fragment molecular orbital</a> (FMO) method, the Effective Fragment Potential (EFP) method, and the Effective Fragment Molecular Orbital method (EFMO). </p><p>The GAMESS (US) software also provides a comprehensive bonding analysis technique based on the Quasi-Atomic Orbital (QUAO) analysis proposed by professor Klaus Ruedenberg. The QUAO analysis provides a quasi-atomical perspective of bonding molecular orbitals in molecules. These are oriented orbitals which show the bonding direction. QUAOs are characterized by their Bond Order (BO), Kinetic Bond Order (KBO) which is a measure of the strength of the bond, and their occupation number. The QUAO analysis allows users to study bonding patterns in molecules or small to medium size with a high degree of accuracy. </p><p>While the program does not directly perform <a href="/wiki/Molecular_mechanics" title="Molecular mechanics">molecular mechanics</a>, it can do mixed quantum mechanics and molecular mechanics calculations through effective fragment potentials or through an interface with the <a href="/wiki/Tinker_(software)" title="Tinker (software)">Tinker</a> code. The <a href="/wiki/Fragment_molecular_orbital" title="Fragment molecular orbital">fragment molecular orbital</a> method can be used to treat large systems, by dividing them into fragments. </p><p>It can also be interfaced with the <a href="/wiki/Modern_valence_bond_theory" title="Modern valence bond theory">valence bond</a> <a href="/wiki/Valence_bond_programs" title="Valence bond programs">VB2000 and XMVB programs</a> and the <a href="/wiki/Natural_Bond_Orbital" class="mw-redirect" title="Natural Bond Orbital">Natural Bond Orbital</a> (NBO) population analysis program. </p><p>The input files use a keyword based scheme. For example, $CONTRL SCFTYP=ROHF MAXIT=30 $END, which specifies that the SCF part of the code should do a <a href="/wiki/Restricted_open-shell_Hartree%E2%80%93Fock" title="Restricted open-shell Hartree–Fock">restricted open-shell Hartree–Fock</a> (ROHF) calculation and quit if the result does not converge in 30 iterations. The output is in an English language text file.<sup id="cite_ref-8" class="reference"><a href="#cite_note-8"><span class="cite-bracket">[</span>8<span class="cite-bracket">]</span></a></sup> </p> <div class="mw-heading mw-heading2"><h2 id="See_also">See also</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=GAMESS_(US)&action=edit&section=2" title="Edit section: See also"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><a href="/wiki/GAMESS_(UK)" title="GAMESS (UK)">GAMESS (UK)</a></li> <li><a href="/wiki/Firefly_(computer_program)" title="Firefly (computer program)">PC GAMESS, Firefly</a></li> <li><a href="/wiki/List_of_quantum_chemistry_and_solid_state_physics_software" class="mw-redirect" title="List of quantum chemistry and solid state physics software">List of quantum chemistry and solid state physics software</a></li></ul> <div class="mw-heading mw-heading2"><h2 id="References">References</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=GAMESS_(US)&action=edit&section=3" title="Edit section: References"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <style data-mw-deduplicate="TemplateStyles:r1239543626">.mw-parser-output .reflist{margin-bottom:0.5em;list-style-type:decimal}@media screen{.mw-parser-output .reflist{font-size:90%}}.mw-parser-output .reflist .references{font-size:100%;margin-bottom:0;list-style-type:inherit}.mw-parser-output .reflist-columns-2{column-width:30em}.mw-parser-output .reflist-columns-3{column-width:25em}.mw-parser-output .reflist-columns{margin-top:0.3em}.mw-parser-output .reflist-columns ol{margin-top:0}.mw-parser-output .reflist-columns li{page-break-inside:avoid;break-inside:avoid-column}.mw-parser-output .reflist-upper-alpha{list-style-type:upper-alpha}.mw-parser-output .reflist-upper-roman{list-style-type:upper-roman}.mw-parser-output .reflist-lower-alpha{list-style-type:lower-alpha}.mw-parser-output .reflist-lower-greek{list-style-type:lower-greek}.mw-parser-output .reflist-lower-roman{list-style-type:lower-roman}</style><div class="reflist"> <div class="mw-references-wrap"><ol class="references"> <li id="cite_note-1"><span class="mw-cite-backlink"><b><a href="#cite_ref-1">^</a></b></span> <span class="reference-text"><style data-mw-deduplicate="TemplateStyles:r1238218222">.mw-parser-output cite.citation{font-style:inherit;word-wrap:break-word}.mw-parser-output .citation q{quotes:"\"""\"""'""'"}.mw-parser-output .citation:target{background-color:rgba(0,127,255,0.133)}.mw-parser-output .id-lock-free.id-lock-free a{background:url("//upload.wikimedia.org/wikipedia/commons/6/65/Lock-green.svg")right 0.1em center/9px no-repeat}.mw-parser-output .id-lock-limited.id-lock-limited a,.mw-parser-output .id-lock-registration.id-lock-registration a{background:url("//upload.wikimedia.org/wikipedia/commons/d/d6/Lock-gray-alt-2.svg")right 0.1em center/9px no-repeat}.mw-parser-output .id-lock-subscription.id-lock-subscription a{background:url("//upload.wikimedia.org/wikipedia/commons/a/aa/Lock-red-alt-2.svg")right 0.1em center/9px no-repeat}.mw-parser-output .cs1-ws-icon a{background:url("//upload.wikimedia.org/wikipedia/commons/4/4c/Wikisource-logo.svg")right 0.1em center/12px no-repeat}body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-free a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-limited a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-registration a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-subscription a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .cs1-ws-icon a{background-size:contain;padding:0 1em 0 0}.mw-parser-output .cs1-code{color:inherit;background:inherit;border:none;padding:inherit}.mw-parser-output .cs1-hidden-error{display:none;color:var(--color-error,#d33)}.mw-parser-output .cs1-visible-error{color:var(--color-error,#d33)}.mw-parser-output .cs1-maint{display:none;color:#085;margin-left:0.3em}.mw-parser-output .cs1-kern-left{padding-left:0.2em}.mw-parser-output .cs1-kern-right{padding-right:0.2em}.mw-parser-output .citation .mw-selflink{font-weight:inherit}@media screen{.mw-parser-output .cs1-format{font-size:95%}html.skin-theme-clientpref-night .mw-parser-output .cs1-maint{color:#18911f}}@media screen and (prefers-color-scheme:dark){html.skin-theme-clientpref-os .mw-parser-output .cs1-maint{color:#18911f}}</style><cite id="CITEREFYoung2001" class="citation book cs1">Young, David C. (2001). "Appendix A. A.2.3 GAMESS". <i>Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems</i>. Wiley-Interscience. p. 335. <a href="/wiki/Doi_(identifier)" class="mw-redirect" title="Doi (identifier)">doi</a>:<a rel="nofollow" class="external text" href="https://doi.org/10.1002%2F0471220655">10.1002/0471220655</a>. <a href="/wiki/ISBN_(identifier)" class="mw-redirect" title="ISBN (identifier)">ISBN</a> <a href="/wiki/Special:BookSources/978-0-471-33368-5" title="Special:BookSources/978-0-471-33368-5"><bdi>978-0-471-33368-5</bdi></a>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.atitle=Appendix+A.+A.2.3+GAMESS&rft.btitle=Computational+Chemistry%3A+A+Practical+Guide+for+Applying+Techniques+to+Real+World+Problems&rft.pages=335&rft.pub=Wiley-Interscience&rft.date=2001&rft_id=info%3Adoi%2F10.1002%2F0471220655&rft.isbn=978-0-471-33368-5&rft.aulast=Young&rft.aufirst=David+C.&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span></span> </li> <li id="cite_note-2"><span class="mw-cite-backlink"><b><a href="#cite_ref-2">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFSchmidtBaldridgeBoatzElbert1993" class="citation journal cs1">Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.; Elbert, Steven T.; Gordon, Mark S.; Jensen, Jan H.; Koseki, Shiro; Matsunaga, Nikita; Nguyen, Kiet A.; Su, Shujun; Windus, Theresa L.; Dupuis, Michel; Montgomery, John A. (1993). "General atomic and molecular electronic structure system". <i>Journal of Computational Chemistry</i>. <b>14</b> (11): 1347–1363. <a href="/wiki/Doi_(identifier)" class="mw-redirect" title="Doi (identifier)">doi</a>:<a rel="nofollow" class="external text" href="https://doi.org/10.1002%2Fjcc.540141112">10.1002/jcc.540141112</a>. <a href="/wiki/S2CID_(identifier)" class="mw-redirect" title="S2CID (identifier)">S2CID</a> <a rel="nofollow" class="external text" href="https://api.semanticscholar.org/CorpusID:3358041">3358041</a>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.jtitle=Journal+of+Computational+Chemistry&rft.atitle=General+atomic+and+molecular+electronic+structure+system&rft.volume=14&rft.issue=11&rft.pages=1347-1363&rft.date=1993&rft_id=info%3Adoi%2F10.1002%2Fjcc.540141112&rft_id=https%3A%2F%2Fapi.semanticscholar.org%2FCorpusID%3A3358041%23id-name%3DS2CID&rft.aulast=Schmidt&rft.aufirst=Michael+W.&rft.au=Baldridge%2C+Kim+K.&rft.au=Boatz%2C+Jerry+A.&rft.au=Elbert%2C+Steven+T.&rft.au=Gordon%2C+Mark+S.&rft.au=Jensen%2C+Jan+H.&rft.au=Koseki%2C+Shiro&rft.au=Matsunaga%2C+Nikita&rft.au=Nguyen%2C+Kiet+A.&rft.au=Su%2C+Shujun&rft.au=Windus%2C+Theresa+L.&rft.au=Dupuis%2C+Michel&rft.au=Montgomery%2C+John+A.&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span>. One of the <a rel="nofollow" class="external text" href="https://web.archive.org/web/20111104155453/http://www.cas.org/spotlight/bchem05/bchem05.html">most cited chemistry articles</a></span> </li> <li id="cite_note-3"><span class="mw-cite-backlink"><b><a href="#cite_ref-3">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFGordonSchmidt2005" class="citation book cs1">Gordon, Mark S.; Schmidt, Michael W. (2005). <a rel="nofollow" class="external text" href="https://web.archive.org/web/20180413055529/http://www.msg.ameslab.gov/gamess/gamess_manual/gamess-05.pdf">"Advances in electronic structure theory: GAMESS a decade later"</a> <span class="cs1-format">(PDF)</span>. In Dykstra, C. E.; Frenking, G.; Lim, K. S.; Scusaria, G. E. (eds.). <i>Theory and Applications of Computational Chemistry, the first 40 years</i>. Amsterdam: Elsevier. pp. 1167–1189. <a href="/wiki/Doi_(identifier)" class="mw-redirect" title="Doi (identifier)">doi</a>:<a rel="nofollow" class="external text" href="https://doi.org/10.1016%2FB978-044451719-7%2F50084-6">10.1016/B978-044451719-7/50084-6</a>. <a href="/wiki/ISBN_(identifier)" class="mw-redirect" title="ISBN (identifier)">ISBN</a> <a href="/wiki/Special:BookSources/978-0-444-51719-7" title="Special:BookSources/978-0-444-51719-7"><bdi>978-0-444-51719-7</bdi></a>. Archived from <a rel="nofollow" class="external text" href="http://www.msg.ameslab.gov/gamess/gamess_manual/gamess-05.pdf">the original</a> <span class="cs1-format">(PDF)</span> on 2018-04-13.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=bookitem&rft.atitle=Advances+in+electronic+structure+theory%3A+GAMESS+a+decade+later&rft.btitle=Theory+and+Applications+of+Computational+Chemistry%2C+the+first+40+years&rft.place=Amsterdam&rft.pages=1167-1189&rft.pub=Elsevier&rft.date=2005&rft_id=info%3Adoi%2F10.1016%2FB978-044451719-7%2F50084-6&rft.isbn=978-0-444-51719-7&rft.aulast=Gordon&rft.aufirst=Mark+S.&rft.au=Schmidt%2C+Michael+W.&rft_id=http%3A%2F%2Fwww.msg.ameslab.gov%2Fgamess%2Fgamess_manual%2Fgamess-05.pdf&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span></span> </li> <li id="cite_note-4"><span class="mw-cite-backlink"><b><a href="#cite_ref-4">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFSchmidtBaldridgeBoatzJensen1990" class="citation journal cs1">Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.; Jensen, Jan H.; Koseki, Shiro; Gordon, Mark S.; Nguyen, Kiet A.; <a href="/wiki/Theresa_Windus" title="Theresa Windus">Windus, Theresa L.</a>; Elbert, Stephen T. (1990). "General Atomic and Molecular Electronic Structure System (GAMESS)". <i>QCPE Bulletin</i>. <b>10</b>: 52–54. <a href="/wiki/ISSN_(identifier)" class="mw-redirect" title="ISSN (identifier)">ISSN</a> <a rel="nofollow" class="external text" href="https://search.worldcat.org/issn/0889-7514">0889-7514</a>. <a href="/wiki/OCLC_(identifier)" class="mw-redirect" title="OCLC (identifier)">OCLC</a> <a rel="nofollow" class="external text" href="https://search.worldcat.org/oclc/7963600">7963600</a>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.jtitle=QCPE+Bulletin&rft.atitle=General+Atomic+and+Molecular+Electronic+Structure+System+%28GAMESS%29&rft.volume=10&rft.pages=52-54&rft.date=1990&rft_id=info%3Aoclcnum%2F7963600&rft.issn=0889-7514&rft.aulast=Schmidt&rft.aufirst=Michael+W.&rft.au=Baldridge%2C+Kim+K.&rft.au=Boatz%2C+Jerry+A.&rft.au=Jensen%2C+Jan+H.&rft.au=Koseki%2C+Shiro&rft.au=Gordon%2C+Mark+S.&rft.au=Nguyen%2C+Kiet+A.&rft.au=Windus%2C+Theresa+L.&rft.au=Elbert%2C+Stephen+T.&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span></span> </li> <li id="cite_note-5"><span class="mw-cite-backlink"><b><a href="#cite_ref-5">^</a></b></span> <span class="reference-text">As of December 2014, the GAMESS code lists its contributors as: <a rel="nofollow" class="external text" href="https://web.archive.org/web/20200203223431/http://www.msg.chem.iastate.edu/~mike/">Michael W. Schmidt</a>, Kimberly K. Baldridge, Jerry A. Boatz, Stephen T. Elbert, <a href="/wiki/Mark_S._Gordon" title="Mark S. Gordon">Mark S. Gordon</a>, Jan H. Jensen, Shiro Koseki, Nikita Matsunaga, Kiet A. Nguyen, Shujun J. Su, Theresa L. Windus, Michel Dupuis, John A. Montgomery, Ivana Adamovic, Christine Aikens, <a rel="nofollow" class="external text" href="https://www.alcf.anl.gov/staff-directory/yuri-alexeev">Yuri Alexeev</a>, Pooja Arora, Andrey Asadchev, Rob Bell, Pradipta Bandyopadhyay, Jonathan Bentz, <a rel="nofollow" class="external text" href="https://www.linkedin.com/in/brettbode/">Brett Bode</a>, Kurt Brorsen, Caleb Carlin, Galina Chaban, Wei Chen, Cheol Ho Choi, Paul Day, Albert Defusco, Nuwan Desilva, Tim Dudley, Dmitri Fedorov, Graham Fletcher, <a rel="nofollow" class="external text" href="https://www.creighton.edu/faculty-directory-profile/459/mark-freitag">Mark Freitag</a>, <a rel="nofollow" class="external text" href="https://www.researchgate.net/profile/Kurt_Glaesemann">Kurt Glaesemann</a>, Dan Kemp, Grant Merrill, Noriyuki Minezawa, Jonathan Mullin, Takeshi Nagata, Sean Nedd, Heather Netzloff, Bosiljka Njegic, Ryan Olson,<a rel="nofollow" class="external text" href="https://www.afit.edu/BIOS/bio.cfm?facID=610">Michael Pak</a>, Spencer Pruitt, Luke Roskop, Jim Shoemaker, Lyudmila Slipchenko, Tony Smith, Sarom Sok, Jie Song, Tetsuya Taketsugu, Simon Webb, Peng Xu, Soohaeng Yoo, Federico Zahariev, Joe Ivanic, Aaron West, Laimutis Bytautas, Klaus Ruedenberg, Kimihiko Hirao, Takahito Nakajima, Takao Tsuneda, Muneaki Kamiya, Susumu Yanagisawa, Kiyoshi Yagi, Mahito Chiba, Seiken Tokura, Naoaki Kawakami, Frank Jensen, Visvaldas Kairys, Hui Li, Walt Stevens, David Garmer, Benedetta Mennucci, Jacopo Tomasi, Henry Kurtz, Prakashan Korambath, Toby Zeng, Mariusz Klobukowski, Mark Spackman, Hiroaki Umeda, Kazuo Kitaura, Karol Kowalski, Marta Wloch, Jeffrey Gour, Jesse Lutz, Wei Li, <a href="/wiki/Piotr_Piecuch" title="Piotr Piecuch">Piotr Piecuch</a>, Monika Musial, Stanislaw Kucharski, Olivier Quinet, Benoit Champagne, Bernard Kirtman, Kazuya Ishimura, Michio Katouda, Shigeru Nagase, Anna Pomogaeva, Dan Chipman, Haruyuki Nakano, Feng Long Gu, Jacek Korchowiec, Marcin Makowski, Yuriko Aoki, Hirotoshi Mori, Eisaku Miyoshi, Tzvetelin Iordanov, Chet Swalina, Jonathan Skone, Sharon Hammes-Schiffer, Masato Kobayashi, Tomoko Akama, Tsuguki Touma, Takeshi Yoshikawam Yasuhiro Ikabata, Hiromi Nakai, Shuhua Li, Peifeng Su, Dejun Si, Nandun Thellamurege, Yali Wang, Hui Li, Roberto Peverati, Kim Baldridge, Maria Barysz, Casper Steinmann, Hiroya Nakata, Yoshio Nishimoto, <a href="/wiki/Stephan_Irle" title="Stephan Irle">Stephan Irle</a>.</span> </li> <li id="cite_note-6"><span class="mw-cite-backlink"><b><a href="#cite_ref-6">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFGordon_Research_Group" class="citation web cs1">Gordon Research Group. <a rel="nofollow" class="external text" href="http://www.msg.chem.iastate.edu/gamess/GAMESS_Manual/intro.pdf">"GAMESS Manual (Introduction)"</a> <span class="cs1-format">(PDF)</span>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=unknown&rft.btitle=GAMESS+Manual+%28Introduction%29&rft.au=Gordon+Research+Group&rft_id=http%3A%2F%2Fwww.msg.chem.iastate.edu%2Fgamess%2FGAMESS_Manual%2Fintro.pdf&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span></span> </li> <li id="cite_note-7"><span class="mw-cite-backlink"><b><a href="#cite_ref-7">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite class="citation web cs1"><a rel="nofollow" class="external text" href="http://www.msg.chem.iastate.edu/">"Gordon Group/GAMESS Homepage"</a>. <i>www.msg.chem.iastate.edu</i>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=unknown&rft.jtitle=www.msg.chem.iastate.edu&rft.atitle=Gordon+Group%2FGAMESS+Homepage&rft_id=http%3A%2F%2Fwww.msg.chem.iastate.edu%2F&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span></span> </li> <li id="cite_note-8"><span class="mw-cite-backlink"><b><a href="#cite_ref-8">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFGordon_Research_Group" class="citation web cs1">Gordon Research Group. <a rel="nofollow" class="external text" href="http://www.msg.chem.iastate.edu/gamess/GAMESS_Manual/input.pdf">"GAMESS Manual (Input)"</a> <span class="cs1-format">(PDF)</span>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Abook&rft.genre=unknown&rft.btitle=GAMESS+Manual+%28Input%29&rft.au=Gordon+Research+Group&rft_id=http%3A%2F%2Fwww.msg.chem.iastate.edu%2Fgamess%2FGAMESS_Manual%2Finput.pdf&rfr_id=info%3Asid%2Fen.wikipedia.org%3AGAMESS+%28US%29" class="Z3988"></span></span> </li> </ol></div></div> <div class="mw-heading mw-heading2"><h2 id="External_links">External links</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=GAMESS_(US)&action=edit&section=4" title="Edit section: External links"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><span class="official-website"><span class="url"><a rel="nofollow" class="external text" href="http://www.msg.chem.iastate.edu/gamess">Official website</a></span></span></li> <li><span class="url"><a rel="nofollow" class="external text" href="https://groups.google.com/group/gamess?hl=en">GAMESS Google Group</a></span></li> <li><span class="url"><a rel="nofollow" class="external text" href="http://molecularmodelingbasics.blogspot.com/">Jan Jensen's blog with some GAMESS tutorials</a></span></li> <li><span class="url"><a rel="nofollow" class="external text" href="http://www.msg.chem.iastate.edu/gamess/documentation.html">GAMESS-US Documentation</a></span></li></ul> <div class="navbox-styles"><style data-mw-deduplicate="TemplateStyles:r1129693374">.mw-parser-output .hlist dl,.mw-parser-output .hlist ol,.mw-parser-output .hlist ul{margin:0;padding:0}.mw-parser-output .hlist dd,.mw-parser-output .hlist dt,.mw-parser-output .hlist li{margin:0;display:inline}.mw-parser-output .hlist.inline,.mw-parser-output .hlist.inline dl,.mw-parser-output .hlist.inline ol,.mw-parser-output .hlist.inline ul,.mw-parser-output .hlist dl dl,.mw-parser-output .hlist dl ol,.mw-parser-output .hlist dl ul,.mw-parser-output .hlist ol dl,.mw-parser-output .hlist ol ol,.mw-parser-output .hlist ol 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href="/wiki/Kinetic_PreProcessor" title="Kinetic PreProcessor">KPP</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Autochem" title="Autochem">Autochem</a></li> <li><a href="/wiki/Chemical_WorkBench" title="Chemical WorkBench">Chemical WorkBench</a></li> <li><a href="/wiki/CHEMKIN" title="CHEMKIN">CHEMKIN</a></li> <li><a href="/wiki/COSILAB" title="COSILAB">COSILAB</a></li> <li><a href="/wiki/DelPhi_(software)" class="mw-redirect" title="DelPhi (software)">DelPhi</a></li> <li><a href="/wiki/Khimera" title="Khimera">Khimera</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Molecular_modelling" title="Molecular modelling">Molecular modelling</a> <br /> and <br /> <a href="/wiki/Visualization_(graphics)" title="Visualization (graphics)">visualization</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"><a href="/wiki/List_of_molecular_graphics_systems" title="List of molecular graphics systems">List of molecular graphics systems</a> </div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Ascalaph_Designer" title="Ascalaph Designer">Ascalaph Designer</a></li> <li><a href="/wiki/Avogadro_(software)" title="Avogadro (software)">Avogadro</a></li> <li><a href="/wiki/BALL" title="BALL">BALL</a></li> <li><a href="/wiki/Biskit" title="Biskit">Biskit</a></li> <li><a href="/wiki/Gabedit" title="Gabedit">Gabedit</a></li> <li><a href="/wiki/Ghemical" title="Ghemical">Ghemical</a></li> <li><a href="/wiki/Jmol" title="Jmol">Jmol</a></li> <li><a href="/wiki/Molekel" title="Molekel">Molekel</a></li> <li><a href="/wiki/PyMOL" title="PyMOL">PyMOL</a></li> <li><a href="/wiki/QuteMol" title="QuteMol">QuteMol</a></li> <li><a href="/wiki/RasMol" title="RasMol">RasMol</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Abalone_(molecular_mechanics)" title="Abalone (molecular mechanics)">Abalone</a></li> <li><a href="/wiki/ACD/ChemSketch" title="ACD/ChemSketch">ACD/ChemSketch</a></li> <li><a href="/wiki/Atomistix_ToolKit" title="Atomistix ToolKit">Atomistix ToolKit</a></li> <li><a href="/wiki/ChemDraw" title="ChemDraw">ChemDraw</a></li> <li><a href="/wiki/ChemWindow" title="ChemWindow">ChemWindow</a></li> <li><a href="/wiki/EzMol" title="EzMol">EzMol</a></li> <li><a href="/wiki/Gaussian_(software)" title="Gaussian (software)">Gaussian</a></li> <li><a href="/wiki/Schr%C3%B6dinger_(company)" class="mw-redirect" title="Schrödinger (company)">Maestro</a></li> <li><a href="/wiki/MarvinSketch" class="mw-redirect" title="MarvinSketch">MarvinSketch</a></li> <li><a href="/wiki/MarvinView" class="mw-redirect" title="MarvinView">MarvinView</a></li> <li><a href="/wiki/MODELLER" title="MODELLER">MODELLER</a></li> <li><a href="/wiki/Molecular_Operating_Environment" title="Molecular Operating Environment">Molecular Operating Environment</a></li> <li><a href="/wiki/SAMSON" title="SAMSON">SAMSON</a></li> <li><a href="/wiki/Spartan_(chemistry_software)" title="Spartan (chemistry software)">Spartan</a></li> <li><a href="/wiki/UCSF_Chimera" title="UCSF Chimera">UCSF Chimera</a></li> <li><a href="/wiki/Visual_Molecular_Dynamics" title="Visual Molecular Dynamics">VMD</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Docking_(molecular)" title="Docking (molecular)">Molecular docking</a></th><td class="navbox-list-with-group navbox-list navbox-even hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"><a href="/wiki/List_of_protein-ligand_docking_software" title="List of protein-ligand docking software">List of protein-ligand docking software</a> </div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Free_software" title="Free software">Free software</a></th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/AutoDock" title="AutoDock">AutoDock</a></li> <li><a href="/wiki/AutoDock_Vina" class="mw-redirect" title="AutoDock Vina">AutoDock Vina</a></li> <li><a href="/wiki/FlexAID" title="FlexAID">FlexAID</a></li> <li><a href="/wiki/RDock" title="RDock">rDock</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Proprietary_software" title="Proprietary software">Proprietary</a></th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Glide_(docking)" title="Glide (docking)">Glide</a></li> <li><a href="/wiki/LeDock" title="LeDock">LeDock</a></li> <li><a href="/wiki/Molecular_Operating_Environment" title="Molecular Operating Environment">Molecular Operating Environment</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Molecular_dynamics" title="Molecular dynamics">Molecular dynamics</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"></div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Free_software" title="Free software">Free software</a></th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/CP2K" title="CP2K">CP2K</a></li> <li><a href="/wiki/GROMACS" title="GROMACS">GROMACS</a></li> <li><a href="/wiki/LAMMPS" title="LAMMPS">LAMMPS</a></li> <li><a href="/wiki/OpenMM" title="OpenMM">OpenMM</a></li> <li><a href="/wiki/PLUMED" title="PLUMED">PLUMED</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Proprietary_software" title="Proprietary software">Proprietary</a></th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Abalone_(molecular_mechanics)" title="Abalone (molecular mechanics)">Abalone</a></li> <li><a href="/wiki/AMBER" title="AMBER">AMBER</a></li> <li><a href="/wiki/CHARMM" title="CHARMM">CHARMM</a></li> <li><a href="/wiki/Car%E2%80%93Parrinello_molecular_dynamics" title="Car–Parrinello molecular dynamics">CPMD</a></li> <li><a href="/wiki/Desmond_(software)" title="Desmond (software)">Desmond</a></li> <li><a href="/wiki/GROMOS" title="GROMOS">GROMOS</a></li> <li><a href="/wiki/NAMD" title="NAMD">NAMD</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Quantum_chemistry" title="Quantum chemistry">Quantum chemistry</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"><a href="/wiki/List_of_quantum_chemistry_and_solid-state_physics_software" title="List of quantum chemistry and solid-state physics software">List of quantum chemistry and solid-state physics software</a> </div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/ABINIT" title="ABINIT">ABINIT</a></li> <li><a href="/wiki/ACES_(computational_chemistry)" title="ACES (computational chemistry)">ACES</a> (CFOUR)</li> <li><a href="/wiki/AIMAll" title="AIMAll">AIMAll</a></li> <li><a href="/wiki/BigDFT" title="BigDFT">BigDFT</a></li> <li><a href="/wiki/COLUMBUS" title="COLUMBUS">COLUMBUS</a></li> <li><a href="/wiki/CONQUEST" title="CONQUEST">CONQUEST</a></li> <li><a href="/wiki/CP2K" title="CP2K">CP2K</a></li> <li><a href="/wiki/Dalton_(program)" title="Dalton (program)">Dalton</a></li> <li><a href="/wiki/Dirac_(software)" title="Dirac (software)">DIRAC</a></li> <li><a href="/wiki/DP_code" title="DP code">DP code</a></li> <li><a href="/wiki/FLEUR" title="FLEUR">FLEUR</a></li> <li><a href="/wiki/FreeON" title="FreeON">FreeON</a></li> <li><a href="/wiki/MADNESS" title="MADNESS">MADNESS</a></li> <li><a href="/wiki/MOPAC" title="MOPAC">MOPAC</a></li> <li><a href="/wiki/MPQC" class="mw-redirect" title="MPQC">MPQC</a></li> <li><a href="/wiki/NWChem" title="NWChem">NWChem</a></li> <li><a href="/wiki/Octopus_(software)" title="Octopus (software)">Octopus</a></li> <li><a href="/wiki/MOLCAS" title="MOLCAS">OpenMolcas</a></li> <li><a href="/wiki/PARSEC" title="PARSEC">PARSEC</a></li> <li><a href="/wiki/PSI_(computational_chemistry)" title="PSI (computational chemistry)">PSI</a></li> <li><a href="/wiki/PyQuante" title="PyQuante">PyQuante</a></li> <li><a href="/wiki/PySCF" title="PySCF">PySCF</a></li> <li><a href="/wiki/Quantum_ESPRESSO" title="Quantum ESPRESSO">Quantum ESPRESSO</a> (PWscf)</li> <li><a href="/wiki/RMG_(program)" title="RMG (program)">RMG</a></li> <li><a href="/wiki/SIESTA_(computer_program)" title="SIESTA (computer program)">SIESTA</a></li> <li><a href="/wiki/Valence_bond_programs" title="Valence bond programs">VB2000</a></li> <li><a href="/wiki/YAMBO_code" title="YAMBO code">YAMBO code</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Amsterdam_Density_Functional" title="Amsterdam Density Functional">ADF</a></li> <li><a href="/wiki/AMPAC" title="AMPAC">AMPAC</a></li> <li><a href="/wiki/DMol3" title="DMol3">DMol3</a></li> <li><a href="/wiki/CADPAC" title="CADPAC">CADPAC</a></li> <li><a href="/wiki/CASINO" title="CASINO">CASINO</a></li> <li><a href="/wiki/CASTEP" title="CASTEP">CASTEP</a></li> <li><a href="/wiki/Car%E2%80%93Parrinello_molecular_dynamics" title="Car–Parrinello molecular dynamics">CPMD</a></li> <li><a href="/wiki/Valence_bond_programs" title="Valence bond programs">CRUNCH</a></li> <li><a href="/wiki/CRYSTAL_(software)" title="CRYSTAL (software)">CRYSTAL</a></li> <li><a href="/wiki/Firefly_(computer_program)" title="Firefly (computer program)">Firefly</a></li> <li><a href="/wiki/GAMESS_(UK)" title="GAMESS (UK)">GAMESS (UK)</a></li> <li><a class="mw-selflink selflink">GAMESS (US)</a></li> <li><a href="/wiki/Gaussian_(software)" title="Gaussian (software)">Gaussian</a></li> <li><a href="/wiki/Jaguar_(software)" title="Jaguar (software)">Jaguar</a></li> <li><a href="/wiki/MOLCAS" title="MOLCAS">MOLCAS</a></li> <li><a href="/wiki/MOLPRO" title="MOLPRO">MOLPRO</a></li> <li><a href="/wiki/ONETEP" title="ONETEP">ONETEP</a></li> <li><a href="/wiki/OpenAtom" title="OpenAtom">OpenAtom</a></li> <li><a href="/wiki/ORCA_(quantum_chemistry_program)" title="ORCA (quantum chemistry program)">ORCA</a></li> <li><a href="/wiki/PLATO_(computational_chemistry)" title="PLATO (computational chemistry)">PLATO</a></li> <li><a href="/wiki/PQS_(software)" title="PQS (software)">PQS</a></li> <li><a href="/wiki/Q-Chem" title="Q-Chem">Q-Chem</a></li> <li><a href="/wiki/Quantemol" title="Quantemol">Quantemol</a></li> <li><a href="/wiki/Scigress" title="Scigress">Scigress</a></li> <li><a href="/wiki/Spartan_(chemistry_software)" title="Spartan (chemistry software)">Spartan</a></li> <li><a href="/wiki/TeraChem" title="TeraChem">TeraChem</a></li> <li><a href="/wiki/TURBOMOLE" title="TURBOMOLE">TURBOMOLE</a></li> <li><a href="/wiki/Vienna_Ab_initio_Simulation_Package" title="Vienna Ab initio Simulation Package">VASP</a></li> <li><a href="/wiki/WIEN2k" title="WIEN2k">WIEN2k</a></li> <li><a href="/wiki/Valence_bond_programs" title="Valence bond programs">XMVB</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Skeletal_structure" class="mw-redirect" title="Skeletal structure">Skeletal structure</a> drawing</th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"></div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/JChemPaint" title="JChemPaint">JChemPaint</a></li> <li><a href="/wiki/Molsketch" title="Molsketch">Molsketch</a></li> <li><a href="/wiki/XDrawChem" title="XDrawChem">XDrawChem</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/ACD/ChemSketch" title="ACD/ChemSketch">ACD/ChemSketch</a></li> <li><a href="/wiki/ISIS/Draw" title="ISIS/Draw">BIOVIA Draw</a></li> <li>ChemDoodle</li> <li><a href="/wiki/ChemDraw" title="ChemDraw">ChemDraw</a></li> <li><a href="/wiki/ChemWindow" title="ChemWindow">ChemWindow</a></li> <li><a href="/wiki/JME_Molecule_Editor" title="JME Molecule Editor">JME Molecule Editor</a></li> <li><a href="/wiki/MarvinSketch" class="mw-redirect" title="MarvinSketch">MarvinSketch</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Others</th><td class="navbox-list-with-group navbox-list navbox-even hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Aqion" title="Aqion">Aqion</a></li> <li><a href="/wiki/Eulim" title="Eulim">Eulim</a></li> <li><a href="/wiki/EXC_code" title="EXC code">EXC code</a></li> <li>GenX</li> <li>GSim</li> <li><a href="/wiki/Mercury_(crystallography)" title="Mercury (crystallography)">Mercury</a></li> <li><a href="/wiki/CrystalExplorer" title="CrystalExplorer">CrystalExplorer</a></li> <li><a href="/wiki/Internal_Coordinate_Mechanics" title="Internal Coordinate Mechanics">ICM</a> (ICM-Browser)</li> <li><a href="/wiki/Materials_Studio" title="Materials Studio">Materials Studio</a></li> <li><a href="/wiki/Molden" title="Molden">Molden</a></li> <li><a href="/wiki/OpenChrom" title="OpenChrom">OpenChrom</a></li> <li>SASHIMI</li></ul> </div></td></tr></tbody></table></div>    </div><noscript><img src="https://login.wikimedia.org/wiki/Special:CentralAutoLogin/start?type=1x1" alt="" width="1" height="1" style="border: none; position: absolute;"></noscript> <div class="printfooter" data-nosnippet="">Retrieved from "<a dir="ltr" href="https://en.wikipedia.org/w/index.php?title=GAMESS_(US)&oldid=1242833190">https://en.wikipedia.org/w/index.php?title=GAMESS_(US)&oldid=1242833190</a>"</div></div> <div id="catlinks" class="catlinks" data-mw="interface"><div id="mw-normal-catlinks" class="mw-normal-catlinks"><a href="/wiki/Help:Category" title="Help:Category">Category</a>: <ul><li><a href="/wiki/Category:Computational_chemistry_software" title="Category:Computational 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