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ANUChem

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A collection of chemistry codes written in the X10 language.

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Description

ANUChem is a collection of computational chemistry codes written in the X10 programming language. These include:
* Pumja Rasaayani (Quantum Chemistry): energy calculation using the Hartree-Fock SCF method and Resolution of the Operator;
* PGAS-FMM: electrostatics calculation (for molecular dynamics) using the Fast Multipole method; and
* PME: electrostatics calculation using the Smooth Particle Mesh Ewald method.

ANUChem Web Site

Categories

Chemistry

License

Eclipse Public License

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User Reviews

  • tfileme
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    Thank you for your work.

    Posted 05/12/2013
  • jacksongomez
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    anuchem works great

    Posted 01/25/2013
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Additional Project Details

Intended Audience

Developers, Science/Research

Registered

2012-11-16

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