Dalton
From SNIC Documentation
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 | |
| Torben Rasmussen (NSC) | NSC | Computational chemistry | 100100 | Application expert coordinator (25% FTE). Installation and support of computational chemistry software. Snicdocs editing and development. |
