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.
Thank you for your work.
anuchem works great