MedeA 2.8 released

February 2, 2012

Forcefields ...

Embedded Atom Method with LAMMPS ...

  • MedeA supports EAM for metallic systems

  • EAM forcefields are supplied with MedeA, including Zhou's compendium for alloy systems.

MedeA-GIBBS ...

  • thermal expansivity and isothermal compressibility

  • total heat capacity

  • Joule-Thomson coefficient

VASP 5.2.11 ...

  • DFT-D2 approach of Grimme for van der Waals interactions improves description of molecular systems and weakly bound inorganic crystals

  • A broad range of additional enhancements and updates round out the VASP updates in MedeA 2.8.

Flowcharts ...

  • Flowcharts provide a perfect mechanism for developing reusable simulation strategies and protocols. LAMMPS, Gibbs, VASP, MOPAC, and building and editing tools may be combined in flowcharts.

  • Flowcharts are computationally efficient and designed for deep integration with MedeA’s TaskServer and JobServer architecture.

Streamlined Upgrade Process ...

  • Simply start the upgrade program, connect to Materials Design, Inc. to get the newer components.

  • The installation DVD works for updating an existing installation.

  • One disk is all you need with databases for both Windows and Linux.

Windows & Linux ...

  • works on Windows XP, Vista, Windows 7, and most current Linux versions.

  • simplified the installation of included Windows SQL server

  • easier connection to mysql on Linux.

     

     

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