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DC

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An electronic state solver distributed with GAMESS, the quantum chemical (QM) calculation software. Combining energy density analysis and Divide-and-Conquer (DC) method, accurate QM calculation with electronic correlation is solved in a short time. Highly accurate QM calculations for many-atom/nano-scale material can be solved when run on a high performance super computer.

Information
Last Update:2021/03/05

Official site

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

License

GAMESS License (http://www.msg.ameslab.gov/gamess/download.html) "A site license for GAMESS is available at no cost to both academic and industrial users. You will be asked to agree to this license during the process of downloading GAMESS. The license acknowledges the Gordon group's exclusive distribution rights to GAMESS, and also prohibits you from making copies of the GAMESS code for any purpose except use at your own institution. Please note the distinction between "a site license at no cost" and terms such as "public domain" or "freeware" or "open source"." Free if you agree with the license http://www.msg.ameslab.gov/gamess/License_Agreement.html
Availability Binaries for Mac, Linux, Windows. Need to compile on Unix/Linux. Language: Fortran77/C Environment: K, T2K-Tsukuba, quad-core AMD Opetron 2.3 GHz
Core Developers Hiromi Nakai (Schools of Advanced Science and Engineering, Waseda University), Masato Kobayashi(Schools of Advanced Science and Engineering, Waseda University)
Target substance/model Nano and biological systems
Physical quantities that can be computed Energy, electron density, spin density, energy density, and optical properties (polarizability; hyperpolarizability)
Methodology HF using divide and conquer (DC) method, MP2, CC, and density functional theory calculation
Parallelization Parallel computing by MPI is supported (an interface DDI provided by GAMESS developers is used as a rapper). A latest version (not released) supports OpenMP parallel computing.
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