Dalton

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Dalton is a powerful molecular electronic structure program., with an extensive functional for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory. At the release of Dalton 2.0 in March 2005, a total of 1208 licenses for Dalton 1.x had been issued. A new release is currently in preparation; Dalton 2011.

Availability

Resource Centre Description
Kappa NSC throughput cluster resource of 26 TFLOPS
Lindgren PDC Cray XE6 capability cluster with 305 TFLOPS peak performance
Matter NSC cluster resource of 37 TFLOPS dedicated to materials science

License

License: No licensing information available.

Experts

No experts have currently registered expertise on this specific subject. List of registered field experts:
Field AE FTE General activities
Johan Raber (NSC) NSC Computational chemistry 5050
Michael Stenrup (UPPMAX) UPPMAX Computational chemistry 2525
Torben Rasmussen (NSC) NSC Computational chemistry 100100 Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.
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