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Gordon Group/GAMESS Homepage

Mark Gordon's Quantum Theory Group. Ames Laboratory/Iowa State University. The development branch of GAMESS is now hosted on Github. Visit the Developers page. Is now available for Mac OS X, Linux and Windows. Version 7 now includes a model building/editing feature! A simple batch job manager for desktop platforms named GamessQ. Is available for OS X, Windows, or Linux desktops. Other Sites of Interest. Open Collaborations Push Science Forward. USC iOpenShell Electronic Structure Forum.

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Gordon Group/GAMESS Homepage | msg.chem.iastate.edu Reviews

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Mark Gordon's Quantum Theory Group. Ames Laboratory/Iowa State University. The development branch of GAMESS is now hosted on Github. Visit the Developers page. Is now available for Mac OS X, Linux and Windows. Version 7 now includes a model building/editing feature! A simple batch job manager for desktop platforms named GamessQ. Is available for OS X, Windows, or Linux desktops. Other Sites of Interest. Open Collaborations Push Science Forward. USC iOpenShell Electronic Structure Forum.

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Gordon Group/GAMESS Homepage | msg.chem.iastate.edu Reviews

https://msg.chem.iastate.edu

Mark Gordon's Quantum Theory Group. Ames Laboratory/Iowa State University. The development branch of GAMESS is now hosted on Github. Visit the Developers page. Is now available for Mac OS X, Linux and Windows. Version 7 now includes a model building/editing feature! A simple batch job manager for desktop platforms named GamessQ. Is available for OS X, Windows, or Linux desktops. Other Sites of Interest. Open Collaborations Push Science Forward. USC iOpenShell Electronic Structure Forum.

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msg.chem.iastate.edu

1

Gordon Group/GAMESS Homepage

http://www.msg.chem.iastate.edu/gamess/developers.html

Fortran 90 Coding Policy. Doxygen Rules, Guidelines, and Examples. As of September 2012 all code for GAMESS must include comments using Doxygen. Submitted code not containing Doxygen comments will be not be accepted. Information on using git and setting up an account on the GAMESS review server. Also see the GAMESS DOCUMENTATION. For information on Programmer's References and Hardware Specfics.

2

Gordon Group/GAMESS Homepage

http://www.msg.chem.iastate.edu/tutorials/tutorials.html

Mark Gordon's Quantum Theory Group. Ames Laboratory/Iowa State University. Tutor: Mark S. Gordon. Let's Learn About Quantum Chemistry! Introduction to Quantum Chemistry (39 slides). Introduction to GAMESS (32 slides). From Schrodinger to Hartree-Fock (CHEM580 - 43 slides). Basis Sets and Pseudopotentials (.pptx - 34 slides). Introduction to MCSCF I (28 slides). Introduction to MCSCF II (39 slides). Review of Solvation Methods (69 slides). Review of Excited States Methods (62 slides).

3

Gordon Group/GAMESS Homepage

http://www.msg.chem.iastate.edu/gamess/documentation.html

The ASCII version of the documentation is searchable online. You can easily configure the /gamess/tools/gmshelp script provided with the source code version to display the second chapter at your Unix prompt. For example, typing "gmshelp contrl" will display that particular input group's keywords. Which includes a program summary and credits. Listing every possible input keyword. Containing more than 30 complete input examples. Giving notes on how to use the program, and literature citations.

4

Gordon Group/GAMESS Homepage

http://www.msg.chem.iastate.edu/gamess/capabilities.html

Summary of GAMESS' Capabilities. GAMESS is a program for ab initio. A variety of molecular properties, ranging from simple dipole moments to frequency dependent hyperpolarizabilities may be computed. Many basis sets are stored internally, together with effective core potentials or model core potentials, so that essentially the entire periodic table can be considered. A detailed description of GAMESS is available in the following journal articles:. Advances in electronic structure theory: GAMESS a decade ...

5

Gordon Group/GAMESS Homepage

http://www.msg.chem.iastate.edu/gamess

The General Atomic and Molecular Electronic Structure System (GAMESS). Is a general ab initio quantum chemistry package. GAMESS is maintained by the members of the Gordon research group at Iowa State University. MSG-65 symposium, Maui Prince Hotel, 15-18 January 2007. For the TCA special issue from the meeting, click here. Summary of program capabilities. How to get GAMESS. A version history of GAMESS. The Gordon Research Group. Jan Jensen's blog on GAMESS usage (especially on desktop platforms):.

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WATOC - Board

http://www.watoc.net/watoc.board.html

World Association of Theoretical and Computational Chemists. The Board is the central decision-making body of WATOC. It consists of the Schrödinger medalists (ex-officio WATOC Fellows) plus other elected members. The Board convenes every three years on the day before the beginning of the triennial WATOC Congresses. During this meeting, it elects the President, the Vice-President, the Treasurer, and new Board members. Paul Schleyer 1930 - 2014. Tom Ziegler 1945 - 2015. Last modified 21 July 2015.

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Lab Resources

http://twindus.public.iastate.edu/labresources.html

Windus Group Iowa State University, Ames IA. Electronic Structure Theory Lectures. System at Argonne through an INCITE. Project. In addition, several Linux and Mac workstations are used for code development and for creating initial structures for the simulations. Visualization of results are through multiple tools including MacMolplt. That runs on PCs and Macs, Ecce. Which runs well on all platforms. Development team at PNNL. In addition to NWChem. We use and develop within GAMESS. Given by Prof. Jac...

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Department of Physics and Astronomy. Route Y Log In. Crystal structures NRL Database. Gus Hart's Physics Page. Physics of Life (313R). Research opportunities for students. USU Handball PE class. Bike vs. Chapman Snippet. Women's 2007 Champ Snippet. What is BYU all about? Yes, I'm a Mormon (LDS). I study materials physics. I want to help change the world by inventing algorithms for discovering the materials of tommorow, today. I am a professor in the Department of Physics and Astronomy. Consortium. I ...

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Gordon Group/GAMESS Homepage

Mark Gordon's Quantum Theory Group. Ames Laboratory/Iowa State University. The development branch of GAMESS is now hosted on Github. Visit the Developers page. Is now available for Mac OS X, Linux and Windows. Version 7 now includes a model building/editing feature! A simple batch job manager for desktop platforms named GamessQ. Is available for OS X, Windows, or Linux desktops. Other Sites of Interest. Open Collaborations Push Science Forward. USC iOpenShell Electronic Structure Forum.

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